cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

C16H20FNO2 — CID 1446508

IUPACcyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-6-2-5-13(11-14)16(20)7-9-18(10-8-16)15(19)12-3-1-4-12/h2,5-6,11-12,20H,1,3-4,7-10H2
InChIKeyLDSDYJUOBVMAHT-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.44
Rot. Bonds2

About cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 1446508) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID1446508
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Namecyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-6-2-5-13(11-14)16(20)7-9-18(10-8-16)15(19)12-3-1-4-12/h2,5-6,11-12,20H,1,3-4,7-10H2
InChIKeyLDSDYJUOBVMAHT-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclobutyl-1-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10023882
((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
5-[(4-Hydroxy-4-phenyl-1-piperidinyl)carbonyl]-1-(2-phenylethyl)-2-piperidinone
CID 24792103
[(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
((3R,4S)-1-cyclobutyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885415
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
4-Piperidinol, 1-methyl-4-phenyl-, butyrate, hydrochloride
CID 180499
1-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-ethanone
CID 645006

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 1446508) is cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(O)(c2cccc(F)c2)CC1.
What is the InChIKey of cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is LDSDYJUOBVMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-6-2-5-13(11-14)16(20)7-9-18(10-8-16)15(19)12-3-1-4-12/h2,5-6,11-12,20H,1,3-4,7-10H2.
What are the key properties of cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 1446508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).