3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C16H26ClN3O — CID 120980467

IUPAC3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(c1ccccc1)N(C)CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-14(15-6-4-3-5-7-15)18(2)11-8-16(20)19-12-9-17-10-13-19;/h3-7,14,17H,8-13H2,1-2H3;1H
InChIKeyQKUGBBYWWMRZOZ-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.92
Rot. Bonds5

About 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980467) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980467
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(c1ccccc1)N(C)CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-14(15-6-4-3-5-7-15)18(2)11-8-16(20)19-12-9-17-10-13-19;/h3-7,14,17H,8-13H2,1-2H3;1H
InChIKeyQKUGBBYWWMRZOZ-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.92
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
3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980681
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980944
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980922
3-[1-(2,4-dimethylphenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980796
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980467) is 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(c1ccccc1)N(C)CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is QKUGBBYWWMRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-14(15-6-4-3-5-7-15)18(2)11-8-16(20)19-12-9-17-10-13-19;/h3-7,14,17H,8-13H2,1-2H3;1H.
What are the key properties of 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).