[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone

C15H18FNO2 — CID 111433067

IUPAC[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO2/c16-13-6-2-1-5-12(13)15(7-8-15)14(19)17-9-3-4-11(18)10-17/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyPJNJGHDWQGSYHT-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.84
Rot. Bonds2

About [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone

[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111433067) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111433067
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO2/c16-13-6-2-1-5-12(13)15(7-8-15)14(19)17-9-3-4-11(18)10-17/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyPJNJGHDWQGSYHT-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanone
CID 4463578
[4-(3-Fluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 53512400
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-YL]-2-(4-fluorophenyl)ethanone
CID 71783112
1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
CID 71787603
1-(2-Hydroxyethyl)-5,5-diphenylpiperidin-2-one
CID 72841944
(3S*,4R*)-1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-3,4-diol
CID 72859743
(3R)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-3,4,4-trimethyl-3-pyrrolidinol
CID 72871251
(1R*,3S*)-7-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 72877100
(1R*,3S*)-7-{[2-(trifluoromethyl)phenyl]acetyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 72894172
(1R*,3S*)-7-[4-(4-fluorophenyl)butanoyl]-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-1-ol
CID 72932016
(1R*,3S*)-7-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-1-ol
CID 72932649
2-(3-Fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
CID 91921760

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone (CID 111433067) is [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(N1CCCC(O)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is PJNJGHDWQGSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-6-2-1-5-12(13)15(7-8-15)14(19)17-9-3-4-11(18)10-17/h1-2,5-6,11,18H,3-4,7-10H2.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone?
[1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 263.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111433067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).