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

C15H20FNO2 — CID 1446465

IUPAC1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-4-14(18)17-9-7-15(19,8-10-17)12-5-3-6-13(16)11-12/h3,5-6,11,19H,2,4,7-10H2,1H3
InChIKeyNTQCLPSBTDUPHO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.44
Rot. Bonds3

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

1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one (PubChem CID 1446465) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
PubChem CID1446465
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(O)(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-4-14(18)17-9-7-15(19,8-10-17)12-5-3-6-13(16)11-12/h3,5-6,11,19H,2,4,7-10H2,1H3
InChIKeyNTQCLPSBTDUPHO-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-phenylpiperidin-4-ol
CID 78670
3-Phenyl-1-piperidin-1-ylnonan-3-ol
CID 24761161
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885907
1-Ethyl-2,5-dimethyl-4-phenyl-4-piperidinol
CID 3104851
3-Phenyl-1-piperidin-1-ylhex-5-en-3-ol
CID 6602940
1,2,2,5-Tetramethyl-4-phenyl-piperidin-4-ol
CID 9549495
[(3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 46203842
((3R,4S)-4-(2,4-difluorophenyl)-1-propylpyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885366
((3R,4S)-1-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885368
((3R,4S)-4-(2,4-difluorophenyl)-1-isobutylpyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885369
Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one (CID 1446465) is 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(O)(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The InChIKey is NTQCLPSBTDUPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-4-14(18)17-9-7-15(19,8-10-17)12-5-3-6-13(16)11-12/h3,5-6,11,19H,2,4,7-10H2,1H3.
What are the key properties of 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 1446465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).