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

C16H24N2O — CID 115304493

IUPAC1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCNC1(C)CCN(C(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)12-15(19)18-10-8-16(2,17-3)9-11-18/h4-7,17H,8-12H2,1-3H3
InChIKeyQLTOMUXLVSOPLO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds3

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

1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 115304493) 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-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID115304493
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCNC1(C)CCN(C(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)12-15(19)18-10-8-16(2,17-3)9-11-18/h4-7,17H,8-12H2,1-3H3
InChIKeyQLTOMUXLVSOPLO-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-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
2-(3-chlorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304338
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 115304493) is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone is CNC1(C)CCN(C(=O)Cc2ccccc2C)CC1.
What is the InChIKey of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is QLTOMUXLVSOPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-4-5-7-14(13)12-15(19)18-10-8-16(2,17-3)9-11-18/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-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-(2-methylphenyl)ethanone is sourced from PubChem (CID 115304493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).