CAS RN: 1416133-23-7
(1S,2S)-1,2-diphenyl-1-Piperidineethanamine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1416133-23-7
- Purity/Analytical Methods: >99.0%
1416133-23-7 / (1S,2S)-1,2-diphenyl-2-piperidin-1-ylethanamine
Basic Information
CAS
1416133-23-7
Multi CAS
No
Molecular Formula
C19H24N2
Molecular Weight
280.400000
Exact Mass
280.193949
SMILES
C1CCN(CC1)[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N
InChI
InChI=1S/C19H24N2/c20-18(16-10-4-1-5-11-16)19(17-12-6-2-7-13-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,18-19H,3,8-9,14-15,20H2/t18-,19-/m0/s1
InChIKey
ARKAXDRQVKGTDS-OALUTQOASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.98
TPSA
29.26
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
3.2
Consensus LogP
3.52
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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