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

C13H19N3O2 — CID 54868636

IUPAC2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11/h2-5,10,17H,6-9,14H2,1H3
InChIKeyRFMCRMQTJYWWPB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.39
Rot. Bonds2

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

2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 54868636) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID54868636
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11/h2-5,10,17H,6-9,14H2,1H3
InChIKeyRFMCRMQTJYWWPB-UHFFFAOYSA-N
XLogP0.39
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 75513891
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104907576
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112763187

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 54868636) is 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is CC(N)C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is RFMCRMQTJYWWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(14)13(18)16-8-6-15(7-9-16)11-2-4-12(17)5-3-11/h2-5,10,17H,6-9,14H2,1H3.
What are the key properties of 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54868636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).