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

C18H19FN2O — CID 808454

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3
InChIKeyQVNOYJKYJQCXCA-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.10
Rot. Bonds2

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

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 808454) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID808454
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3
InChIKeyQVNOYJKYJQCXCA-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

(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
CID 1489210
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 808454) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is QVNOYJKYJQCXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-6-2-3-7-15(14)18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19/h2-9H,10-13H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-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-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 808454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).