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CAS 1364783-04-9 (S)-2-methyl-2-phenylpiperidine molecular structure lightbox
CAS RN: 1364783-04-9

(S)-2-methyl-2-phenylpiperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1364783-04-9
  • Purity/Analytical Methods: >99.0%
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1364783-04-9 / (2S)-2-methyl-2-phenylpiperidine

Standard CAS: 1364783-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1364783-04-9
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
C[C@]1(CCCCN1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-12(9-5-6-10-13-12)11-7-3-2-4-8-11/h2-4,7-8,13H,5-6,9-10H2,1H3/t12-/m0/s1
InChIKey
FLNODMVWOCAIEF-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.65
TPSA
12.03

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.4
Consensus LogP
2.48
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-1.89

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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