3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one

C15H23N3O — CID 122081287

IUPAC3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1NCCN(C(=O)CCc2ccccc2N)C1C
InChIInChI=1S/C15H23N3O/c1-11-12(2)18(10-9-17-11)15(19)8-7-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10,16H2,1-2H3
InChIKeyDXZYFRZIDUAZKF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 122081287) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
PubChem CID122081287
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1NCCN(C(=O)CCc2ccccc2N)C1C
InChIInChI=1S/C15H23N3O/c1-11-12(2)18(10-9-17-11)15(19)8-7-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10,16H2,1-2H3
InChIKeyDXZYFRZIDUAZKF-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569523
1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 107273458
4-(2-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572545
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
3-(4-bromo-3-methylphenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 120571442
1-(2,3-dimethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120572423
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120610960
3-(2-aminophenyl)-1-(2-methyl-3-phenylthiomorpholin-4-yl)propan-1-one
CID 120611078
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one (CID 122081287) is 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one is CC1NCCN(C(=O)CCc2ccccc2N)C1C.
What is the InChIKey of 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is DXZYFRZIDUAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-12(2)18(10-9-17-11)15(19)8-7-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10,16H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 122081287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).