1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone

C18H20N2O — CID 175135237

IUPAC1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CNCCN2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-14(21)15-7-9-16(10-8-15)18-13-19-11-12-20(18)17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3
InChIKeyHTAKRYLBITXPBJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds3

About 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone

1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone (PubChem CID 175135237) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone
PubChem CID175135237
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CNCCN2c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-14(21)15-7-9-16(10-8-15)18-13-19-11-12-20(18)17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3
InChIKeyHTAKRYLBITXPBJ-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone (CID 175135237) is 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2CNCCN2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone?
The InChIKey is HTAKRYLBITXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(21)15-7-9-16(10-8-15)18-13-19-11-12-20(18)17-5-3-2-4-6-17/h2-10,18-19H,11-13H2,1H3.
What are the key properties of 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone?
1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone is sourced from PubChem (CID 175135237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).