1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

C17H24N2O — CID 6005081

IUPAC1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3/b10-6+
InChIKeyZQBMUHABRSEAIK-UXBLZVDNSA-N
MW272.39 g/mol
LogP2.64
Rot. Bonds5

About 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one (PubChem CID 6005081) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
PubChem CID6005081
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3/b10-6+
InChIKeyZQBMUHABRSEAIK-UXBLZVDNSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one (CID 6005081) is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
The InChIKey is ZQBMUHABRSEAIK-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-7-17(20)19-14-12-18(13-15-19)11-6-10-16-8-4-3-5-9-16/h3-6,8-10H,2,7,11-15H2,1H3/b10-6+.
What are the key properties of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one?
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 6005081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).