[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone

C18H19FN2O — CID 120737442

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyFHCWNMZOTPJJIE-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.92
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 120737442) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID120737442
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyFHCWNMZOTPJJIE-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 120737442) is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is FHCWNMZOTPJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-13-5-7-14(8-6-13)18(22)21-10-9-20-12-17(21)15-3-2-4-16(19)11-15/h2-8,11,17,20H,9-10,12H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 298.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 120737442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).