1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one

C15H22N2O — CID 104679979

IUPAC1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCc1ccc(C(N)CN2CCCC(C)C2=O)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)14(16)10-17-9-3-4-12(2)15(17)18/h5-8,12,14H,3-4,9-10,16H2,1-2H3
InChIKeyOXPIEWVKTFIOJR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one

1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one (PubChem CID 104679979) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
PubChem CID104679979
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCc1ccc(C(N)CN2CCCC(C)C2=O)cc1
InChIInChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)14(16)10-17-9-3-4-12(2)15(17)18/h5-8,12,14H,3-4,9-10,16H2,1-2H3
InChIKeyOXPIEWVKTFIOJR-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490472
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione
CID 79507026
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
CID 104679826

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one (CID 104679979) is 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one is Cc1ccc(C(N)CN2CCCC(C)C2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one?
The InChIKey is OXPIEWVKTFIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-7-13(8-6-11)14(16)10-17-9-3-4-12(2)15(17)18/h5-8,12,14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one?
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104679979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).