1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone

C15H23N3O2 — CID 82135880

IUPAC1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC(O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(19)18-9-7-17(8-10-18)6-5-15(20)13-3-2-4-14(16)11-13/h2-4,11,15,20H,5-10,16H2,1H3
InChIKeyCQFCMUMUXKMMKJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.86
Rot. Bonds4

About 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone

1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone (PubChem CID 82135880) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
PubChem CID82135880
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC(O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(19)18-9-7-17(8-10-18)6-5-15(20)13-3-2-4-14(16)11-13/h2-4,11,15,20H,5-10,16H2,1H3
InChIKeyCQFCMUMUXKMMKJ-UHFFFAOYSA-N
XLogP0.86
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone 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

4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazine-1-carbaldehyde
CID 82486047
2-(4-acetylpiperazin-1-yl)ethyl 3-aminobenzoate
CID 54298045
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
CID 82113079
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
2-(3-aminophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 18894944
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
(E)-3-(3-aminophenyl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 115342682
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
CID 62266993
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone (CID 82135880) is 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCC(O)c2cccc(N)c2)CC1.
What is the InChIKey of 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone?
The InChIKey is CQFCMUMUXKMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)18-9-7-17(8-10-18)6-5-15(20)13-3-2-4-14(16)11-13/h2-4,11,15,20H,5-10,16H2,1H3.
What are the key properties of 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone?
1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 82135880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).