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CAS 1289387-21-8 Methyl-(2-Methyl-benzyl)-piperidin-4-yl-aMine hydrochloride molecular structure lightbox
CAS RN: 1289387-21-8

Methyl-(2-Methyl-benzyl)-piperidin-4-yl-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1289387-21-8
  • Purity/Analytical Methods: >99.0%
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1289387-21-8 / N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;hydrochloride

Standard CAS: 1289387-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1289387-21-8
Multi CAS
No
Molecular Formula
C14H23ClN2
Molecular Weight
254.800000
Exact Mass
254.154976
SMILES
CC1=CC=CC=C1CN(C)C2CCNCC2.Cl
InChI
InChI=1S/C14H22N2.ClH/c1-12-5-3-4-6-13(12)11-16(2)14-7-9-15-10-8-14;/h3-6,14-15H,7-11H2,1-2H3;1H
InChIKey
ALKZITZGVRFYOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.79
TPSA
15.27

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
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)
-2.43

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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