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CAS 1391503-63-1 (S)-2-(3-chlorophenyl)piperidine hydrochloride molecular structure lightbox
CAS RN: 1391503-63-1

(S)-2-(3-chlorophenyl)piperidine hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1391503-63-1
  • Purity/Analytical Methods: >99.0%
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1391503-63-1 / (2S)-2-(3-chlorophenyl)piperidine;hydrochloride

Standard CAS: 1391503-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391503-63-1
Multi CAS
No
Molecular Formula
C11H15Cl2N
Molecular Weight
232.150000
Exact Mass
231.058155
SMILES
C1CCN[C@@H](C1)C2=CC(=CC=C2)Cl.Cl
InChI
InChI=1S/C11H14ClN.ClH/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;/h3-5,8,11,13H,1-2,6-7H2;1H/t11-;/m0./s1
InChIKey
QFLYNHNXYCAGPI-MERQFXBCSA-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
63.29
TPSA
12.03

LogP / Solubility

WLOGP
3.58
MLOGP
3.15
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.6

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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