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CAS 1262988-77-1 1-Benzyl-4-hydroxypiperidine-4-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1262988-77-1

1-Benzyl-4-hydroxypiperidine-4-carboxylic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1262988-77-1
  • Purity/Analytical Methods: >99.0%
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1262988-77-1 / 1-benzyl-4-hydroxypiperidine-4-carboxylic acid;hydrochloride

Standard CAS: 1262988-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262988-77-1
Multi CAS
No
Molecular Formula
C13H18ClNO3
Molecular Weight
271.740000
Exact Mass
271.097521
SMILES
C1CN(CCC1(C(=O)O)O)CC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H17NO3.ClH/c15-12(16)13(17)6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5,17H,6-10H2,(H,15,16);1H
InChIKey
AZCDHMXJLATEFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.79
TPSA
60.77

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-3.3

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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