1-(4-amino-2-methylphenyl)piperidin-2-one;ethane

C14H22N2O — CID 142825432

IUPAC1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
SMILESCC.Cc1cc(N)ccc1N1CCCCC1=O
InChIInChI=1S/C12H16N2O.C2H6/c1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-2/h5-6,8H,2-4,7,13H2,1H3;1-2H3
InChIKeyWHLGWZDWUZKKDA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.12
Rot. Bonds1

About 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane

1-(4-amino-2-methylphenyl)piperidin-2-one;ethane (PubChem CID 142825432) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane.

Molecular Properties

Compound Name1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
PubChem CID142825432
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
SMILESCC.Cc1cc(N)ccc1N1CCCCC1=O
InChIInChI=1S/C12H16N2O.C2H6/c1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-2/h5-6,8H,2-4,7,13H2,1H3;1-2H3
InChIKeyWHLGWZDWUZKKDA-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
CID 57185180
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
2-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168519312
ethyl 5-amino-2-(2-oxopyrrolidin-1-yl)benzoate
CID 57245785
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
CID 16771885

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane?
The IUPAC name of 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane (CID 142825432) is 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane.
What is the SMILES notation for 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane?
The canonical SMILES for 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane is CC.Cc1cc(N)ccc1N1CCCCC1=O.
What is the InChIKey of 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane?
The InChIKey is WHLGWZDWUZKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-9-8-10(13)5-6-11(9)14-7-3-2-4-12(14)15;1-2/h5-6,8H,2-4,7,13H2,1H3;1-2H3.
What are the key properties of 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane?
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane has a molecular weight of 234.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylphenyl)piperidin-2-one;ethane is sourced from PubChem (CID 142825432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).