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CAS 1185165-54-1 4-[(4-Methylbenzyl)oxy]piperidine hydrochloride molecular structure lightbox
CAS RN: 1185165-54-1

4-[(4-Methylbenzyl)oxy]piperidine hydrochloride

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Batchno.20251228 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1185165-54-1
  • Purity/Analytical Methods: >99.0%
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1185165-54-1 / 4-[(4-methylphenyl)methoxy]piperidine;hydrochloride

4-((4-Methylbenzyl)oxy)piperidine hydrochloride | 4-[(4-Methylbenzyl)oxy]piperidine hydrochloride | 4-(4-Methyl-benzyloxy)-piperidine hydrochloride

Standard CAS: 1185165-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185165-54-1
Multi CAS
No
Molecular Formula
C13H20ClNO
Molecular Weight
241.760000
Exact Mass
241.123342
SMILES
CC1=CC=C(C=C1)COC2CCNCC2.Cl
InChI
InChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)10-15-13-6-8-14-9-7-13;/h2-5,13-14H,6-10H2,1H3;1H
InChIKey
ROAOWVGFHODCCU-UHFFFAOYSA-N
Synonyms
4-((4-Methylbenzyl)oxy)piperidine hydrochloride 4-[(4-Methylbenzyl)oxy]piperidine hydrochloride 4-(4-Methyl-benzyloxy)-piperidine hydrochloride MFCD11506396 4-[(4-methylphenyl)methoxy]piperidine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.11
TPSA
21.26

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.29

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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