CAS RN: 14174-92-6
2-(2-METHYLPHENYL)PIPERIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260625 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14174-92-6
- Purity/Analytical Methods: >99.0%
14174-92-6 / 2-(2-methylphenyl)piperidine;hydrochloride
Basic Information
CAS
14174-92-6
Multi CAS
No
Molecular Formula
C12H18ClN
Molecular Weight
211.730000
Exact Mass
211.112777
SMILES
CC1=CC=CC=C1C2CCCCN2.Cl
InChI
InChI=1S/C12H17N.ClH/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;/h2-3,6-7,12-13H,4-5,8-9H2,1H3;1H
InChIKey
VBPXEMVLSQEFSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.02
TPSA
12.03
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3.23
Consensus LogP
3.1
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.72
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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