2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C15H23Cl2N3O — CID 119915495

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(20)19-9-7-17-8-10-19;/h3-6,12,17H,7-11H2,1-2H3;1H
InChIKeyVFHMZYVNJMXUKD-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.19
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915495) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915495
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.27 g/mol
Exact Mass331.12
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(20)19-9-7-17-8-10-19;/h3-6,12,17H,7-11H2,1-2H3;1H
InChIKeyVFHMZYVNJMXUKD-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
4-[1-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 61018016
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
3-[3-(4-chlorophenyl)butan-2-yl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982027
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980681
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982893

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915495) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CC(c1ccc(Cl)cc1)N(C)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is VFHMZYVNJMXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(20)19-9-7-17-8-10-19;/h3-6,12,17H,7-11H2,1-2H3;1H.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 332.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).