3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one

C20H21ClFNO2 — CID 21390740

IUPAC3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
InChIKeyOQXMVHSMHFPGKE-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.04
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one

3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one (PubChem CID 21390740) has the molecular formula C20H21ClFNO2 and a molecular weight of 361.84 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one
PubChem CID21390740
Molecular FormulaC20H21ClFNO2
Molecular Weight361.84 g/mol
Exact Mass361.12
IUPAC Name3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
InChIKeyOQXMVHSMHFPGKE-UHFFFAOYSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Haloperidol
CID 3559
Trifluperidol
CID 5567
Haloperidol Decanoate
CID 52919
Moperone
CID 4249
Flazalone
CID 36663
Trifluperidol hydrochloride
CID 11647992
Seperidol
CID 25293
1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
CID 18367
Haloperidol Lactate
CID 16051968
Haloperidol hydrochloride
CID 11495267
3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
CID 20784
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
CID 71315272

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one (CID 21390740) is 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one is O=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is OQXMVHSMHFPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2.
What are the key properties of 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 361.84 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 21390740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).