CAS RN: 1272031-55-6
(R)-2-methyl-2-phenylpiperidine
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.20260125 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1272031-55-6
- Purity/Analytical Methods: >99.0%
1272031-55-6 / (2R)-2-methyl-2-phenylpiperidine
Basic Information
CAS
1272031-55-6
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-/m1/s1
InChIKey
FLNODMVWOCAIEF-GFCCVEGCSA-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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