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CAS 118327-04-1 1-(4-methylbenzyl)piperidin-4-ol molecular structure lightbox
CAS RN: 118327-04-1

1-(4-methylbenzyl)piperidin-4-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS118327-04-1
  • Purity/Analytical Methods: >99.0%
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118327-04-1 / 1-[(4-methylphenyl)methyl]piperidin-4-ol

1-(4-methylbenzyl)piperidin-4-ol | 1-[(4-methylphenyl)methyl]piperidin-4-ol | 1-(4-methyl-benzyl)-piperidin-4-ol

Standard CAS: 118327-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118327-04-1
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
CC1=CC=C(C=C1)CN2CCC(CC2)O
InChI
InChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)10-14-8-6-13(15)7-9-14/h2-5,13,15H,6-10H2,1H3
InChIKey
MXSYUHKGZVDCLL-UHFFFAOYSA-N
Synonyms
1-(4-methylbenzyl)piperidin-4-ol 1-[(4-methylphenyl)methyl]piperidin-4-ol 1-(4-methyl-benzyl)-piperidin-4-ol Cambridge id 5259681 Oprea1_513558

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.7
TPSA
23.47

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.59

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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