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CAS 153931-24-9 3-Amino-1-Benzylpiperidine-3-Carbonitrile molecular structure lightbox
CAS RN: 153931-24-9

3-Amino-1-Benzylpiperidine-3-Carbonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS153931-24-9
  • Purity/Analytical Methods: >99.0%
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153931-24-9 / 3-amino-1-benzylpiperidine-3-carbonitrile

Standard CAS: 153931-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153931-24-9
Multi CAS
No
Molecular Formula
C13H17N3
Molecular Weight
215.290000
Exact Mass
215.142248
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)(C#N)N
InChI
InChI=1S/C13H17N3/c14-10-13(15)7-4-8-16(11-13)9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-9,11,15H2
InChIKey
DEMKLTJJHWNWMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.48
TPSA
53.05

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.9
Consensus LogP
1.24
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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