CAS RN: 1213162-87-8
(S)-2-(3,4-diMethylphenyl)piperidine
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.20250320 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213162-87-8
- Purity/Analytical Methods: >99.0%
1213162-87-8 / (2S)-2-(3,4-dimethylphenyl)piperidine
2-(3,4-dimethylphenyl)piperidine | SCHEMBL17114332 | DTXSID401301297
Basic Information
CAS
1213162-87-8
Multi CAS
Yes
Molecular Formula
C13H19N
Molecular Weight
189.300000
Exact Mass
189.151750
SMILES
CC1=C(C=C(C=C1)[C@@H]2CCCCN2)C
InChI
InChI=1S/C13H19N/c1-10-6-7-12(9-11(10)2)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3/t13-/m0/s1
InChIKey
QTUJZPRAUZIQPZ-ZDUSSCGKSA-N
Synonyms
2-(3,4-dimethylphenyl)piperidine
SCHEMBL17114332
DTXSID401301297
BBL020963
MFCD05190260
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.51
TPSA
12.03
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-1.66
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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