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CAS 164393-34-4 1-(2-Methyl-benzyl)-piperidin-4-ylaMine hydrochloride molecular structure lightbox
CAS RN: 164393-34-4

1-(2-Methyl-benzyl)-piperidin-4-ylaMine hydrochloride

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 100mg In stock Shanghai Inquiry
Batchno.20250722 1g In stock Shanghai Inquiry
Batchno.20250708 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS164393-34-4
  • Purity/Analytical Methods: >99.0%
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164393-34-4 / 1-[(2-methylphenyl)methyl]piperidin-4-amine;hydrochloride

Standard CAS: 164393-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
164393-34-4
Multi CAS
No
Molecular Formula
C13H21ClN2
Molecular Weight
240.770000
Exact Mass
240.139326
SMILES
CC1=CC=CC=C1CN2CCC(CC2)N.Cl
InChI
InChI=1S/C13H20N2.ClH/c1-11-4-2-3-5-12(11)10-15-8-6-13(14)7-9-15;/h2-5,13H,6-10,14H2,1H3;1H
InChIKey
XFFBGKNJFDKQQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.91
TPSA
29.26

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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