2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride

C15H25Cl2N3O — CID 119843176

IUPAC2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCC(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(2)17-7-9-18(10-8-17)15(19)11-13-3-5-14(16)6-4-13;;/h3-6,12H,7-11,16H2,1-2H3;2*1H
InChIKeyONDYKLSGMGDPMR-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride

2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119843176) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119843176
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCC(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(2)17-7-9-18(10-8-17)15(19)11-13-3-5-14(16)6-4-13;;/h3-6,12H,7-11,16H2,1-2H3;2*1H
InChIKeyONDYKLSGMGDPMR-UHFFFAOYSA-N
XLogP2.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 104502206
2-(4-aminophenyl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119891661
(E)-3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 115342949
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247
2-(4-aminophenyl)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119789456

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride (CID 119843176) is 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride is CC(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is ONDYKLSGMGDPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-12(2)17-7-9-18(10-8-17)15(19)11-13-3-5-14(16)6-4-13;;/h3-6,12H,7-11,16H2,1-2H3;2*1H.
What are the key properties of 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119843176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).