1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone

C22H24FNO3 — CID 31224824

IUPAC1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO3/c1-16(26)19-7-2-3-8-20(19)21(27)24-11-9-22(15-25,10-12-24)14-17-5-4-6-18(23)13-17/h2-8,13,25H,9-12,14-15H2,1H3
InChIKeyGQXCTOUKWRDJIS-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone

1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 31224824) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone
PubChem CID31224824
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FNO3/c1-16(26)19-7-2-3-8-20(19)21(27)24-11-9-22(15-25,10-12-24)14-17-5-4-6-18(23)13-17/h2-8,13,25H,9-12,14-15H2,1H3
InChIKeyGQXCTOUKWRDJIS-UHFFFAOYSA-N
XLogP3.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-Chloro-2-fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188698
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
1-(3-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)ethanone
CID 16191336
2-acetyl-N-[1-(2-fluorobenzyl)piperidin-3-yl]-N-methylbenzamide
CID 23723332
{3-(2-Methylbenzyl)-1-[(2,3,6-trifluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723988
2-Phenyl-1-(2-(piperidinocarbonyl)phenyl)-1-ethanone
CID 670679
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 709759
Piperidine, 1-(o-benzoylbenzoyl)-
CID 208219
(4-(4-Fluorobenzoyl)piperidin-1-yl)(o-tolyl)methanone
CID 1438157
4-[3-(Hydroxymethyl)-3-(2-methylbenzyl)piperidin-1-yl]-4-oxo-1-phenylbutan-1-one
CID 16191010
1-[4-({4-(Hydroxymethyl)-4-[3-(trifluoromethyl)benzyl]piperidin-1-yl}carbonyl)phenyl]ethanone
CID 16191531
(3-fluoro-4-methylphenyl)-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 44414345

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone (CID 31224824) is 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is GQXCTOUKWRDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-16(26)19-7-2-3-8-20(19)21(27)24-11-9-22(15-25,10-12-24)14-17-5-4-6-18(23)13-17/h2-8,13,25H,9-12,14-15H2,1H3.
What are the key properties of 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone?
1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 369.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 31224824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).