1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one

C16H24N2O — CID 122149010

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCC(N)CC1C
InChIInChI=1S/C16H24N2O/c1-12(10-14-6-4-3-5-7-14)16(19)18-9-8-15(17)11-13(18)2/h3-7,12-13,15H,8-11,17H2,1-2H3
InChIKeyKWTNMTYQMSZMCN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one

1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one (PubChem CID 122149010) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
PubChem CID122149010
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCC(N)CC1C
InChIInChI=1S/C16H24N2O/c1-12(10-14-6-4-3-5-7-14)16(19)18-9-8-15(17)11-13(18)2/h3-7,12-13,15H,8-11,17H2,1-2H3
InChIKeyKWTNMTYQMSZMCN-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124689387
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 124682466
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 124694275
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
(2S)-1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)propan-1-one
CID 124692166
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
3-(4-methoxyphenyl)-2-methyl-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 156646032

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one (CID 122149010) is 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one is CC(Cc1ccccc1)C(=O)N1CCC(N)CC1C.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is KWTNMTYQMSZMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(10-14-6-4-3-5-7-14)16(19)18-9-8-15(17)11-13(18)2/h3-7,12-13,15H,8-11,17H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one?
1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 122149010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).