CAS RN: 1158497-67-6
1-(4-chlorobenzyl)piperidin-4-amine hydrochloride
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.20251127 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1158497-67-6
- Purity/Analytical Methods: >99.0%
1158497-67-6 / 1-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
1-(4-chlorobenzyl)piperidin-4-amine hydrochloride | 1-(4-Chloro-benzyl)-piperidin-4-ylamine hydrochloride | 1-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
Basic Information
CAS
1158497-67-6
Multi CAS
Yes
Molecular Formula
C12H18Cl2N2
Molecular Weight
261.190000
Exact Mass
260.084704
SMILES
C1CN(CCC1N)CC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C12H17ClN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-4,12H,5-9,14H2;1H
InChIKey
DTDXRUMMEROPLL-UHFFFAOYSA-N
Synonyms
1-(4-chlorobenzyl)piperidin-4-amine hydrochloride
1-(4-Chloro-benzyl)-piperidin-4-ylamine hydrochloride
1-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
SCHEMBL2673496
MFCD08445287
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.19
TPSA
29.26
LogP / Solubility
WLOGP
2.68
MLOGP
2.37
XLogP3
2.68
Consensus LogP
2.58
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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