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CAS 1177271-15-6 1-(2,2,2-Trifluoroethyl)piperidin-4-amine dihydrochloride molecular structure lightbox
CAS RN: 1177271-15-6

1-(2,2,2-Trifluoroethyl)piperidin-4-amine dihydrochloride

  • Product code: SSC-017559
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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, 5g, 10g
  • 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 1177271-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1177271-15-6 / 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride

1-(2,2,2-trifluoroethyl)piperidin-4-amine dihydrochloride | RefChem:420154 | 831-904-0

Standard CAS: 1177271-15-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1177271-15-6
Multi CAS
No
Molecular Formula
C7H15Cl2F3N2
Molecular Weight
255.110000
Exact Mass
254.056438
SMILES
C1CN(CCC1N)CC(F)(F)F.Cl.Cl
InChI
InChI=1S/C7H13F3N2.2ClH/c8-7(9,10)5-12-3-1-6(11)2-4-12;;/h6H,1-5,11H2;2*1H
InChIKey
WWIIKLMNKWPUJY-UHFFFAOYSA-N
Synonyms
1-(2,2,2-trifluoroethyl)piperidin-4-amine dihydrochloride RefChem:420154 831-904-0 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride MFCD11802526

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.2
TPSA
29.26

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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