2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride

C15H25Cl2N3O — CID 119826867

IUPAC2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14;;/h3-7,13,16H,8-12H2,1-2H3;2*1H
InChIKeyAOIDNNROICJPOK-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride

2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 119826867) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID119826867
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14;;/h3-7,13,16H,8-12H2,1-2H3;2*1H
InChIKeyAOIDNNROICJPOK-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
2-methyl-3-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
CID 119898826
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 119826867) is 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCN(c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is AOIDNNROICJPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-13(12-16-2)15(19)18-10-8-17(9-11-18)14-6-4-3-5-7-14;;/h3-7,13,16H,8-12H2,1-2H3;2*1H.
What are the key properties of 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride?
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).