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CAS 1186663-23-9 1-Cbz-3-(aminomethyl)piperidine Hydrochloride molecular structure lightbox
CAS RN: 1186663-23-9

1-Cbz-3-(aminomethyl)piperidine Hydrochloride

  • Product code: SSC-018568
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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: 5g
  • Available purity: ≥95%
  • 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 1186663-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1186663-23-9 / benzyl 3-(aminomethyl)piperidine-1-carboxylate;hydrochloride

Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride | 1-CBZ-3-(AMINOMETHYL)PIPERIDINE HYDROCHLORIDE | 3-AMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl

Standard CAS: 1186663-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-23-9
Multi CAS
Yes
Molecular Formula
C14H21ClN2O2
Molecular Weight
284.780000
Exact Mass
284.129156
SMILES
C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CN.Cl
InChI
InChI=1S/C14H20N2O2.ClH/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2;1H
InChIKey
XIPMZIXJQLUJJK-UHFFFAOYSA-N
Synonyms
Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride 1-CBZ-3-(AMINOMETHYL)PIPERIDINE HYDROCHLORIDE 3-AMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl benzyl 3-(aminomethyl)piperidine-1-carboxylate;hydrochloride MFCD11101355

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
77.23
TPSA
55.56

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.74

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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