3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

C13H19N3O2 — CID 54868649

IUPAC3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c14-6-5-13(18)16-9-7-15(8-10-16)11-3-1-2-4-12(11)17/h1-4,17H,5-10,14H2
InChIKeyVTYLVLGKWRQXGQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 54868649) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID54868649
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c14-6-5-13(18)16-9-7-15(8-10-16)11-3-1-2-4-12(11)17/h1-4,17H,5-10,14H2
InChIKeyVTYLVLGKWRQXGQ-UHFFFAOYSA-N
XLogP0.39
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 79843787
4-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542807
2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 9079094
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 54868649) is 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is VTYLVLGKWRQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-6-5-13(18)16-9-7-15(8-10-16)11-3-1-2-4-12(11)17/h1-4,17H,5-10,14H2.
What are the key properties of 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54868649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).