1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one

C18H26FNO2 — CID 143163536

IUPAC1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one
SMILESCc1cc(F)ccc1C1CCCCN1C(=O)CCC(C)(C)O
InChIInChI=1S/C18H26FNO2/c1-13-12-14(19)7-8-15(13)16-6-4-5-11-20(16)17(21)9-10-18(2,3)22/h7-8,12,16,22H,4-6,9-11H2,1-3H3
InChIKeyZIGALYWAFCEMQE-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.74
Rot. Bonds4

About 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one

1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one (PubChem CID 143163536) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one
PubChem CID143163536
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one
SMILESCc1cc(F)ccc1C1CCCCN1C(=O)CCC(C)(C)O
InChIInChI=1S/C18H26FNO2/c1-13-12-14(19)7-8-15(13)16-6-4-5-11-20(16)17(21)9-10-18(2,3)22/h7-8,12,16,22H,4-6,9-11H2,1-3H3
InChIKeyZIGALYWAFCEMQE-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 22037098
tert-butyl (2S)-1-[(4-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 71914636
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
1-[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 96568595

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one?
The IUPAC name of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one (CID 143163536) is 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one?
The canonical SMILES for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one is Cc1cc(F)ccc1C1CCCCN1C(=O)CCC(C)(C)O.
What is the InChIKey of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one?
The InChIKey is ZIGALYWAFCEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-13-12-14(19)7-8-15(13)16-6-4-5-11-20(16)17(21)9-10-18(2,3)22/h7-8,12,16,22H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one?
1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylphenyl)piperidin-1-yl]-4-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 143163536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).