4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol

C21H25ClFNO2 — CID 24867245

IUPAC4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
SMILESO[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
InChIKeyWNZBBTJFOIOEMP-HXUWFJFHSA-N
MW377.89 g/mol
LogP4.28
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol (PubChem CID 24867245) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
PubChem CID24867245
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol
SMILESO[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
InChIKeyWNZBBTJFOIOEMP-HXUWFJFHSA-N
XLogP4.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Penfluridol
CID 33630
Eliprodil
CID 60703
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
3-Quinuclidinemethanol, alpha-(p-chlorophenyl)-alpha-phenyl-
CID 3044816
Thioketal haloperidol
CID 127702
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
(4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-methanol
CID 10245066

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol (CID 24867245) is 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol is O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
The InChIKey is WNZBBTJFOIOEMP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol has a molecular weight of 377.89 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-ol is sourced from PubChem (CID 24867245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).