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CAS 1187055-62-4 cis-3-(Boc-aMino)-5-(trifluorMethyl)piperidine molecular structure lightbox
CAS RN: 1187055-62-4

cis-3-(Boc-aMino)-5-(trifluorMethyl)piperidine

  • Product code: SSC-018625
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1187055-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry

1187055-62-4 / tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[5-(trifluoromethyl)piperidin-3-yl]carbamate | MFCD23713060 | tert-Butyl (5-(trifluoromethyl)piperidin-3-yl)carbamate

Standard CAS: 1187055-62-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187055-62-4
Multi CAS
Yes
Molecular Formula
C11H19F3N2O2
Molecular Weight
268.280000
Exact Mass
268.139862
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC1)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1
InChIKey
CUNVTZVWJLBPQS-JGVFFNPUSA-N
Synonyms
tert-butyl N-[5-(trifluoromethyl)piperidin-3-yl]carbamate MFCD23713060 tert-Butyl (5-(trifluoromethyl)piperidin-3-yl)carbamate tert-Butyl N-[5-(trifluoromethyl)-3-piperidyl]carbamate 3-(Boc-amino)-5-(trifluoromethyl)piperidine

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.19
TPSA
50.36

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501

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