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CAS 1106941-01-8 3-(4-CHLOROPHENYL) PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1106941-01-8

3-(4-CHLOROPHENYL) PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-011664
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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
  • 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 1106941-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1106941-01-8 / 3-(4-chlorophenyl)piperidine;hydrochloride

3-(4-Chlorophenyl)Piperidine Hydrochloride | 3-(4-chlorophenyl)piperidine;hydrochloride | MFCD02178934

Standard CAS: 1106941-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1106941-01-8
Multi CAS
No
Molecular Formula
C11H15Cl2N
Molecular Weight
232.150000
Exact Mass
231.058155
SMILES
C1CC(CNC1)C2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C11H14ClN.ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;/h3-6,10,13H,1-2,7-8H2;1H
InChIKey
QPJNVLLKCGOSQH-UHFFFAOYSA-N
Synonyms
3-(4-Chlorophenyl)Piperidine Hydrochloride 3-(4-chlorophenyl)piperidine;hydrochloride MFCD02178934 SCHEMBL2884603 QPJNVLLKCGOSQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.54
TPSA
12.03

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.23
Consensus LogP
3.1
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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