CAS RN: 67848-71-9
N-BENZYL-4-CHLORO-PIPERIDINE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS67848-71-9
- Purity/Analytical Methods: >99.0%
67848-71-9 / 1-benzyl-4-chloropiperidine
Basic Information
CAS
67848-71-9
Multi CAS
Yes
Molecular Formula
C12H16CLN
Molecular Weight
209.710000
Exact Mass
209.097127
InChI
InChI=1S/C12H16ClN/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
HEDDTLVBWCOBRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.59
TPSA
3.24
LogP / Solubility
WLOGP
2.89
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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