![CAS 1033013-42-1 1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol, 98+% C13H18ClNO, MW: 239.75 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033013-42-1.gif)
CAS RN: 1033013-42-1
1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol, 98+% C13H18ClNO, MW: 239.75
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1033013-42-1
- Purity/Analytical Methods: >99.0%
1033013-42-1 / 1-[1-(3-chlorophenyl)ethyl]piperidin-3-ol
1-(1-(3-Chlorophenyl)ethyl)piperidin-3-ol | 1-[1-(3-chlorophenyl)ethyl]piperidin-3-ol | 1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol
Basic Information
CAS
1033013-42-1
Multi CAS
No
Molecular Formula
C13H18ClNO
Molecular Weight
239.740000
Exact Mass
239.107692
SMILES
CC(C1=CC(=CC=C1)Cl)N2CCCC(C2)O
InChI
InChI=1S/C13H18ClNO/c1-10(11-4-2-5-12(14)8-11)15-7-3-6-13(16)9-15/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3
InChIKey
JWCOLZVFSATOJX-UHFFFAOYSA-N
Synonyms
1-(1-(3-Chlorophenyl)ethyl)piperidin-3-ol
1-[1-(3-chlorophenyl)ethyl]piperidin-3-ol
1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol
1-[(3-chlorophenyl)ethyl]piperidin-3-ol
SCHEMBL28880135
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.68
TPSA
23.47
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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