2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone

C15H22N2O — CID 119336658

IUPAC2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
SMILESCc1cccc(C2CCCCN2C(=O)CN)c1C
InChIInChI=1S/C15H22N2O/c1-11-6-5-7-13(12(11)2)14-8-3-4-9-17(14)15(18)10-16/h5-7,14H,3-4,8-10,16H2,1-2H3
InChIKeyBJYOFOFKQQTAHC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone

2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone (PubChem CID 119336658) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
PubChem CID119336658
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
SMILESCc1cccc(C2CCCCN2C(=O)CN)c1C
InChIInChI=1S/C15H22N2O/c1-11-6-5-7-13(12(11)2)14-8-3-4-9-17(14)15(18)10-16/h5-7,14H,3-4,8-10,16H2,1-2H3
InChIKeyBJYOFOFKQQTAHC-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667
4-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120593188
2-(4-aminophenyl)-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119800953
1-[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 96568595
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
CID 126781585
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
2-[2-(2,3-dimethylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976383
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119800987
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939972
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 119800975
2-amino-1-[(2R)-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 130476257

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone (CID 119336658) is 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone is Cc1cccc(C2CCCCN2C(=O)CN)c1C.
What is the InChIKey of 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone?
The InChIKey is BJYOFOFKQQTAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-5-7-13(12(11)2)14-8-3-4-9-17(14)15(18)10-16/h5-7,14H,3-4,8-10,16H2,1-2H3.
What are the key properties of 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone?
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119336658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).