1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone

C14H18FNO — CID 63846661

IUPAC1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-11(17)12-6-4-8-16(9-12)10-13-5-2-3-7-14(13)15/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyYWCBPMIBFMHNOT-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds3

About 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone

1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone (PubChem CID 63846661) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
PubChem CID63846661
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H18FNO/c1-11(17)12-6-4-8-16(9-12)10-13-5-2-3-7-14(13)15/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyYWCBPMIBFMHNOT-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone (CID 63846661) is 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
The InChIKey is YWCBPMIBFMHNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(17)12-6-4-8-16(9-12)10-13-5-2-3-7-14(13)15/h2-3,5,7,12H,4,6,8-10H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone?
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 63846661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).