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CAS 1353974-46-5 (4-Methoxy-benzyl)-Methyl-piperidin-4-yl-aMine hydrochloride molecular structure lightbox
CAS RN: 1353974-46-5

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

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353974-46-5
  • Purity/Analytical Methods: >99.0%
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1353974-46-5 / N-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

Standard CAS: 1353974-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353974-46-5
Multi CAS
No
Molecular Formula
C14H23ClN2O
Molecular Weight
270.800000
Exact Mass
270.149891
SMILES
CN(CC1=CC=C(C=C1)OC)C2CCNCC2.Cl
InChI
InChI=1S/C14H22N2O.ClH/c1-16(13-7-9-15-10-8-13)11-12-3-5-14(17-2)6-4-12;/h3-6,13,15H,7-11H2,1-2H3;1H
InChIKey
QCXBQVRMKHYKDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.6
TPSA
24.5

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.74

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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