1-(4-benzylpiperazin-1-yl)ethanone

C13H18N2O — CID 756919

IUPAC1-(4-benzylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyFNLXJRLWMCLBRC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds2

About 1-(4-benzylpiperazin-1-yl)ethanone

1-(4-benzylpiperazin-1-yl)ethanone (PubChem CID 756919) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)ethanone
PubChem CID756919
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-benzylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyFNLXJRLWMCLBRC-UHFFFAOYSA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)ethanone (CID 756919) is 1-(4-benzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)ethanone is CC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)ethanone?
The InChIKey is FNLXJRLWMCLBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-12(16)15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)ethanone?
1-(4-benzylpiperazin-1-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 756919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).