3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one

C15H18FNO — CID 70307419

IUPAC3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO/c1-12-8-10-17(11-9-12)15(18)7-4-13-2-5-14(16)6-3-13/h2-3,5-6H,1,4,7-11H2
InChIKeyZXSUGDCGOIUQMK-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.94
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one

3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one (PubChem CID 70307419) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
PubChem CID70307419
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO/c1-12-8-10-17(11-9-12)15(18)7-4-13-2-5-14(16)6-3-13/h2-3,5-6H,1,4,7-11H2
InChIKeyZXSUGDCGOIUQMK-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
3-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134046846
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
CID 110611459
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110666021
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one (CID 70307419) is 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one is C=C1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The InChIKey is ZXSUGDCGOIUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-12-8-10-17(11-9-12)15(18)7-4-13-2-5-14(16)6-3-13/h2-3,5-6H,1,4,7-11H2.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one has a molecular weight of 247.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 70307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).