1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one

C15H22N2O — CID 106760038

IUPAC1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(c2ccccc2N(C)C)C1C
InChIInChI=1S/C15H22N2O/c1-11-12(2)17(10-9-15(11)18)14-8-6-5-7-13(14)16(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYWWATUHWVPBEJT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds2

About 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one

1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one (PubChem CID 106760038) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one
PubChem CID106760038
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(c2ccccc2N(C)C)C1C
InChIInChI=1S/C15H22N2O/c1-11-12(2)17(10-9-15(11)18)14-8-6-5-7-13(14)16(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYWWATUHWVPBEJT-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
CID 79397807
1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
CID 79406250
1-(3-fluoro-2-iodophenyl)-2,3-dimethylpiperidin-4-one
CID 114260475
1-(5-bromo-2-fluorophenyl)-2,3-dimethylpiperidin-4-one
CID 79397440
1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
CID 79397286
1-[2-(dimethylamino)phenyl]imidazolidin-2-one
CID 106761145
N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
CID 106760852
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
1-[2-(dimethylamino)phenyl]imidazolidine-2,4-dione
CID 106760963
1-[2-(dimethylamino)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708351
1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
CID 167313251
N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
CID 101213947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one (CID 106760038) is 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(c2ccccc2N(C)C)C1C.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is YWWATUHWVPBEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-12(2)17(10-9-15(11)18)14-8-6-5-7-13(14)16(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one?
1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 106760038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).