1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone

C19H22N2O — CID 82251294

IUPAC1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(Cc2ccccc2)NCC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15(22)21-14-18(12-16-8-4-2-5-9-16)20-13-19(21)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3
InChIKeyHVYCOMXVQYKXRE-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone

1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 82251294) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID82251294
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(Cc2ccccc2)NCC1c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15(22)21-14-18(12-16-8-4-2-5-9-16)20-13-19(21)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3
InChIKeyHVYCOMXVQYKXRE-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone (CID 82251294) is 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone is CC(=O)N1CC(Cc2ccccc2)NCC1c1ccccc1.
What is the InChIKey of 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is HVYCOMXVQYKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(22)21-14-18(12-16-8-4-2-5-9-16)20-13-19(21)17-10-6-3-7-11-17/h2-11,18-20H,12-14H2,1H3.
What are the key properties of 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone?
1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82251294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).