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

C17H24N2O2 — CID 71393433

IUPAC3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-15(20)14-17(21)19-12-10-18(11-13-19)9-5-8-16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3
InChIKeyJWSJTJNGNGAKOF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.61
Rot. Bonds5

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

3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one (PubChem CID 71393433) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
PubChem CID71393433
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
SMILESCC(O)CC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-15(20)14-17(21)19-12-10-18(11-13-19)9-5-8-16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3
InChIKeyJWSJTJNGNGAKOF-UHFFFAOYSA-N
XLogP1.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
2-(4-hydroxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 78804110
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one (CID 71393433) is 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one is CC(O)CC(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one?
The InChIKey is JWSJTJNGNGAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-15(20)14-17(21)19-12-10-18(11-13-19)9-5-8-16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3.
What are the key properties of 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one?
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 71393433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).