2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride

C18H23Cl2N3O — CID 119826832

IUPAC2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O.2ClH/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17;;/h1-9H,10-14,19H2;2*1H
InChIKeyKJKYTSHGBIQOOE-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.00
Rot. Bonds3

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

2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119826832) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119826832
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O.2ClH/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17;;/h1-9H,10-14,19H2;2*1H
InChIKeyKJKYTSHGBIQOOE-UHFFFAOYSA-N
XLogP3.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.00
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-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860765
2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 119885899
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 119444703
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
2-(4-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204619

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride (CID 119826832) is 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is KJKYTSHGBIQOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17;;/h1-9H,10-14,19H2;2*1H.
What are the key properties of 2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride?
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.00, 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-phenylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119826832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).