1-ethyl-4-(3-fluorophenyl)piperidin-2-one

C13H16FNO — CID 139936201

IUPAC1-ethyl-4-(3-fluorophenyl)piperidin-2-one
SMILESCCN1CCC(c2cccc(F)c2)CC1=O
InChIInChI=1S/C13H16FNO/c1-2-15-7-6-11(9-13(15)16)10-4-3-5-12(14)8-10/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyHJMJZUFZPXFRIP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.55
Rot. Bonds2

About 1-ethyl-4-(3-fluorophenyl)piperidin-2-one

1-ethyl-4-(3-fluorophenyl)piperidin-2-one (PubChem CID 139936201) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(3-fluorophenyl)piperidin-2-one
PubChem CID139936201
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-ethyl-4-(3-fluorophenyl)piperidin-2-one
SMILESCCN1CCC(c2cccc(F)c2)CC1=O
InChIInChI=1S/C13H16FNO/c1-2-15-7-6-11(9-13(15)16)10-4-3-5-12(14)8-10/h3-5,8,11H,2,6-7,9H2,1H3
InChIKeyHJMJZUFZPXFRIP-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3-fluorophenyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 129391143
(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 98108371
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
3-(3-fluorophenyl)pyrrolidin-1-amine
CID 83529953
cis-(2R,5S)-2-benzyl-5-(3-fluorophenyl)cyclohexan-1-one
CID 102147801
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
(4S,8aS)-4-(3-fluorophenyl)-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 118719550
ethyl 1-ethyl-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854462
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluorophenyl)piperidin-2-one?
The IUPAC name of 1-ethyl-4-(3-fluorophenyl)piperidin-2-one (CID 139936201) is 1-ethyl-4-(3-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 1-ethyl-4-(3-fluorophenyl)piperidin-2-one?
The canonical SMILES for 1-ethyl-4-(3-fluorophenyl)piperidin-2-one is CCN1CCC(c2cccc(F)c2)CC1=O.
What is the InChIKey of 1-ethyl-4-(3-fluorophenyl)piperidin-2-one?
The InChIKey is HJMJZUFZPXFRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-15-7-6-11(9-13(15)16)10-4-3-5-12(14)8-10/h3-5,8,11H,2,6-7,9H2,1H3.
What are the key properties of 1-ethyl-4-(3-fluorophenyl)piperidin-2-one?
1-ethyl-4-(3-fluorophenyl)piperidin-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 139936201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).