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CAS 1159826-44-4 1-Cbz-2-(aminomethyl)piperidine Hydrochloride molecular structure lightbox
CAS RN: 1159826-44-4

1-Cbz-2-(aminomethyl)piperidine Hydrochloride

  • Product code: SSC-015922
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159826-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1159826-44-4 / benzyl 2-(aminomethyl)piperidine-1-carboxylate;hydrochloride

Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride | 1-CBZ-2-(AMINOMETHYL)PIPERIDINE HYDROCHLORIDE | 1-Cbz-2-aminomethyl-piperidine HCl

Standard CAS: 1159826-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159826-44-4
Multi CAS
Yes
Molecular Formula
C14H21ClN2O2
Molecular Weight
284.780000
Exact Mass
284.129156
SMILES
C1CCN(C(C1)CN)C(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H20N2O2.ClH/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11,15H2;1H
InChIKey
RBHMFJDSNDLBIR-UHFFFAOYSA-N
Synonyms
Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride 1-CBZ-2-(AMINOMETHYL)PIPERIDINE HYDROCHLORIDE 1-Cbz-2-aminomethyl-piperidine HCl MFCD11101347 benzyl 2-(aminomethyl)piperidine-1-carboxylate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.27
TPSA
55.56

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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