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CAS 1171124-68-7 CIS-4-AMINO-1-BOC-3-METHOXY-PIPERIDINE molecular structure lightbox
CAS RN: 1171124-68-7

CIS-4-AMINO-1-BOC-3-METHOXY-PIPERIDINE

  • Product code: SSC-016957
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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: >95%
  • Inventory rows with stock: 2
  • 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 1171124-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

1171124-68-7 / tert-butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate

(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate | cis-4-Amino-1-Boc-3-methoxy-piperidine | RefChem:401524

Standard CAS: 1171124-68-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171124-68-7
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)OC)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
QNGHCFVWYKWWMU-BDAKNGLRSA-N
Synonyms
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate cis-4-Amino-1-Boc-3-methoxy-piperidine RefChem:401524 851-910-7 899-325-6

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.2
TPSA
64.79

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.3
Consensus LogP
0.71
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 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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