2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

C16H24N2O — CID 114591829

IUPAC2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O/c1-11-8-12(2)13(3)18(10-11)16(19)9-14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,17H2,1-3H3
InChIKeyNCQOREHEQCQPPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone

2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 114591829) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
PubChem CID114591829
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(C(=O)Cc2ccccc2N)C1
InChIInChI=1S/C16H24N2O/c1-11-8-12(2)13(3)18(10-11)16(19)9-14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,17H2,1-3H3
InChIKeyNCQOREHEQCQPPI-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
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

2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79189038
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
4-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]benzonitrile
CID 114593200
3-(3-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114591852
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120610960
5-[2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 114597584
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594475
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114597476

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone (CID 114591829) is 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is CC1CC(C)C(C)N(C(=O)Cc2ccccc2N)C1.
What is the InChIKey of 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is NCQOREHEQCQPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-8-12(2)13(3)18(10-11)16(19)9-14-6-4-5-7-15(14)17/h4-7,11-13H,8-10,17H2,1-3H3.
What are the key properties of 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone?
2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114591829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).