1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone

C21H22FNO — CID 23383798

IUPAC1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCNCC2)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H22FNO/c1-14-13-19(7-8-20(14)22)21(18-9-11-23-12-10-18)17-5-3-16(4-6-17)15(2)24/h3-8,13,23H,9-12H2,1-2H3
InChIKeyGOSZHIAHJOERFR-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.52
Rot. Bonds3

About 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone

1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone (PubChem CID 23383798) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
PubChem CID23383798
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCNCC2)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H22FNO/c1-14-13-19(7-8-20(14)22)21(18-9-11-23-12-10-18)17-5-3-16(4-6-17)15(2)24/h3-8,13,23H,9-12H2,1-2H3
InChIKeyGOSZHIAHJOERFR-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Eperisone
CID 3236
Lenperone
CID 32593
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-(4-Fluorobenzoyl)piperidine
CID 2724440
4-((3R)-3-((2-(4-fluorophenyl)-2-oxoethyl)amino)butyl)benzamide
CID 15991577
Phenyl(piperidin-4-yl)methanone
CID 226102
4-(4-Methylbenzoyl)piperidine hydrochloride
CID 2740817
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 10596575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone (CID 23383798) is 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone is CC(=O)c1ccc(C(=C2CCNCC2)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
The InChIKey is GOSZHIAHJOERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-14-13-19(7-8-20(14)22)21(18-9-11-23-12-10-18)17-5-3-16(4-6-17)15(2)24/h3-8,13,23H,9-12H2,1-2H3.
What are the key properties of 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone?
1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone has a molecular weight of 323.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone is sourced from PubChem (CID 23383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).