CAS RN: 1146080-10-5

1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ol, 98+% C13H18FNO, MW: 223.29

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Batchno.20250810 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1146080-10-5
  • Purity/Analytical Methods: >99.0%
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1146080-10-5 / 1-[1-(4-fluorophenyl)ethyl]piperidin-4-ol

1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ol | 1-(1-(4-Fluorophenyl)ethyl)piperidin-4-ol | 1-[1-(4-fluorophenyl)ethyl]piperidin-4-ol

Standard CAS: 1146080-10-5 Multi CAS: No

Basic Information

CAS
1146080-10-5
Multi CAS
No
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
CC(C1=CC=C(C=C1)F)N2CCC(CC2)O
InChI
InChI=1S/C13H18FNO/c1-10(11-2-4-12(14)5-3-11)15-8-6-13(16)7-9-15/h2-5,10,13,16H,6-9H2,1H3
InChIKey
DTPQDUOJWMJUKR-UHFFFAOYSA-N
Synonyms
1-[1-(4-Fluoro-phenyl)-ethyl]-piperidin-4-ol 1-(1-(4-Fluorophenyl)ethyl)piperidin-4-ol 1-[1-(4-fluorophenyl)ethyl]piperidin-4-ol SCHEMBL28880055 DTXSID50591135

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
61.63
TPSA
23.47

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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