1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one

C16H24N2O — CID 110707634

IUPAC1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-15(11-13)7-8-16(19)18-10-9-17(3)14(2)12-18/h4-6,11,14H,7-10,12H2,1-3H3
InChIKeyFDGHUTJFSREIQF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one

1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one (PubChem CID 110707634) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
PubChem CID110707634
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-15(11-13)7-8-16(19)18-10-9-17(3)14(2)12-18/h4-6,11,14H,7-10,12H2,1-3H3
InChIKeyFDGHUTJFSREIQF-UHFFFAOYSA-N
XLogP2.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
1-[3-(2-chloroethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 63395665
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119592777
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
3-(3-methylphenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 55564382
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one (CID 110707634) is 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)N2CCN(C)C(C)C2)c1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is FDGHUTJFSREIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-4-6-15(11-13)7-8-16(19)18-10-9-17(3)14(2)12-18/h4-6,11,14H,7-10,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one?
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 110707634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).