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

C18H19FN2O — CID 749124

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)18(22)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3
InChIKeyQEAQZWVZICMZDH-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.10
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 749124) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID749124
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)18(22)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3
InChIKeyQEAQZWVZICMZDH-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

1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
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Nfepp
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Azd-2327
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Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
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CID 16889
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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 749124) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is QEAQZWVZICMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)18(22)21-12-10-20(11-13-21)17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-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-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 749124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).