(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone

C13H16FNO2 — CID 68625008

IUPAC(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H16FNO2/c1-9-7-10(14)4-5-12(9)13(17)15-6-2-3-11(16)8-15/h4-5,7,11,16H,2-3,6,8H2,1H3
InChIKeyOVVUSKWHYHBMRU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.73
Rot. Bonds1

About (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone

(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 68625008) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID68625008
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H16FNO2/c1-9-7-10(14)4-5-12(9)13(17)15-6-2-3-11(16)8-15/h4-5,7,11,16H,2-3,6,8H2,1H3
InChIKeyOVVUSKWHYHBMRU-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 531931
N-(4-Fluorobenzoyl)morpholine
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N,N-bis(2-hydroxypropyl)benzamide
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3-Fluorobenzoic acid, morpholide
CID 532004
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53391833
1-(2-Methylbenzoyl)piperidine-4-carboxylic acid
CID 754891
N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3739314
(2-Methylphenyl)(morpholin-4-yl)methanone
CID 236069
US10214537, Example 153
CID 132220333
N,N-Bis(2-hydroxyethyl)benzamide
CID 94109

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 68625008) is (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1cc(F)ccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is OVVUSKWHYHBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-10(14)4-5-12(9)13(17)15-6-2-3-11(16)8-15/h4-5,7,11,16H,2-3,6,8H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 68625008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).