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CAS 1258940-00-9 (S)-3-PHENYL PIPERIDINE molecular structure lightbox
CAS RN: 1258940-00-9

(S)-3-PHENYL PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1258940-00-9
  • Purity/Analytical Methods: >99.0%
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1258940-00-9 / (3S)-3-phenylpiperidine;hydrochloride

Standard CAS: 1258940-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1258940-00-9
Multi CAS
No
Molecular Formula
C11H16ClN
Molecular Weight
197.700000
Exact Mass
197.097127
SMILES
C1C[C@H](CNC1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H/t11-;/m1./s1
InChIKey
OKVMJYYCFLIGFJ-RFVHGSKJSA-N

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
58.53
TPSA
12.03

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.1

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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