1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone

C16H24N2O — CID 115304471

IUPAC1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCNC1(C)CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-15(19)18-9-7-16(2,17-3)8-10-18/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyWREMRKITZPKCHJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds3

About 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 115304471) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID115304471
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCNC1(C)CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-15(19)18-9-7-16(2,17-3)8-10-18/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyWREMRKITZPKCHJ-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 115304471) is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone is CNC1(C)CCN(C(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is WREMRKITZPKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-15(19)18-9-7-16(2,17-3)8-10-18/h4-6,11,17H,7-10,12H2,1-3H3.
What are the key properties of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 115304471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).