CAS RN: 1158533-04-0
1-(4-Methoxybenzyl)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.20250726 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158533-04-0
- Purity/Analytical Methods: >99.0%
1158533-04-0 / 1-[(4-methoxyphenyl)methyl]piperidin-4-amine;hydrochloride
1-(4-Methoxybenzyl)piperidin-4-amine hydrochloride | 1-[(4-methoxyphenyl)methyl]piperidin-4-amine;hydrochloride | 1-(4-Methoxy-benzyl)-piperidin-4-ylamine hydrochloride
Basic Information
CAS
1158533-04-0
Multi CAS
Yes
Molecular Formula
C13H21ClN2O
Molecular Weight
256.770000
Exact Mass
256.134241
SMILES
COC1=CC=C(C=C1)CN2CCC(CC2)N.Cl
InChI
InChI=1S/C13H20N2O.ClH/c1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;/h2-5,12H,6-10,14H2,1H3;1H
InChIKey
YNKINEKKLLCPCA-UHFFFAOYSA-N
Synonyms
1-(4-Methoxybenzyl)piperidin-4-amine hydrochloride
1-[(4-methoxyphenyl)methyl]piperidin-4-amine;hydrochloride
1-(4-Methoxy-benzyl)-piperidin-4-ylamine hydrochloride
MFCD09455671
4-Piperidinamine, 1-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.73
TPSA
38.49
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.04
Consensus LogP
1.96
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.84
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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