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CAS 176524-12-2 3-(4-CHLOROBENZYL)PIPERIDINE-3-ETHYLCARBOXYLATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 176524-12-2

3-(4-CHLOROBENZYL)PIPERIDINE-3-ETHYLCARBOXYLATE HYDROCHLORIDE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS176524-12-2
  • Purity/Analytical Methods: >99.0%
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176524-12-2 / ethyl 3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate;hydrochloride

Standard CAS: 176524-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176524-12-2
Multi CAS
No
Molecular Formula
C15H21Cl2NO2
Molecular Weight
318.200000
Exact Mass
317.094934
SMILES
CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C15H20ClNO2.ClH/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3;1H
InChIKey
HIWGELPPGDRVAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.57
TPSA
38.33

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3.24
Consensus LogP
3.11
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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