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CAS 1213519-45-9 (S)-2-(4-CHLOROPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 1213519-45-9

(S)-2-(4-CHLOROPHENYL)PIPERIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213519-45-9
  • Purity/Analytical Methods: >99.0%
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1213519-45-9 / (2S)-2-(4-chlorophenyl)piperidine

2-(4-chlorophenyl)piperidine | Oprea1_371934 | SCHEMBL2706388

Standard CAS: 1213519-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213519-45-9
Multi CAS
Yes
Molecular Formula
C11H14ClN
Molecular Weight
195.690000
Exact Mass
195.081477
SMILES
C1CCN[C@@H](C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m0/s1
InChIKey
XENUPRVORZDBJW-NSHDSACASA-N
Synonyms
2-(4-chlorophenyl)piperidine Oprea1_371934 SCHEMBL2706388 SCHEMBL4766448 SCHEMBL27745244

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.05
TPSA
12.03

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.67

Drug-likeness / Medicinal Chemistry

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

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