[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

C18H19FN2O — CID 113079249

IUPAC[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H19FN2O/c1-14-4-2-5-15(12-14)18(22)21-10-8-20(9-11-21)17-7-3-6-16(19)13-17/h2-7,12-13H,8-11H2,1H3
InChIKeyKCOGENBDIXUAGO-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.10
Rot. Bonds2

About [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113079249) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113079249
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C18H19FN2O/c1-14-4-2-5-15(12-14)18(22)21-10-8-20(9-11-21)17-7-3-6-16(19)13-17/h2-7,12-13H,8-11H2,1H3
InChIKeyKCOGENBDIXUAGO-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113079249) is [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1.
What is the InChIKey of [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is KCOGENBDIXUAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-4-2-5-15(12-14)18(22)21-10-8-20(9-11-21)17-7-3-6-16(19)13-17/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 298.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113079249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).