1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol

C19H21ClFNO2 — CID 16677313

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c20-15-7-5-14(6-8-15)18(23)13-22-11-9-19(24,10-12-22)16-3-1-2-4-17(16)21/h1-8,18,23-24H,9-13H2
InChIKeyIFYMIAHJMSYRRJ-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16677313) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16677313
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESOC(CN1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c20-15-7-5-14(6-8-15)18(23)13-22-11-9-19(24,10-12-22)16-3-1-2-4-17(16)21/h1-8,18,23-24H,9-13H2
InChIKeyIFYMIAHJMSYRRJ-UHFFFAOYSA-N
XLogP3.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.50
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
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
3-(4-Fluorophenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol hydrochloride
CID 45489331
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10381919
4-(4-chlorophenyl)-1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-ol
CID 10451266
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-phenyl-pentanenitrile
CID 10499297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 16677313) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol is OC(CN1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is IFYMIAHJMSYRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c20-15-7-5-14(6-8-15)18(23)13-22-11-9-19(24,10-12-22)16-3-1-2-4-17(16)21/h1-8,18,23-24H,9-13H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 349.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16677313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).