2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C15H22N2O — CID 16784397

IUPAC2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(2)17(11)15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,3-5,10,16H2,1-2H3
InChIKeyDFACIZIGYIXHIS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 16784397) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID16784397
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-12(2)17(11)15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,3-5,10,16H2,1-2H3
InChIKeyDFACIZIGYIXHIS-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
CID 124694893
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356068
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356069
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3558570
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110771791

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 16784397) is 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is DFACIZIGYIXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-12(2)17(11)15(18)10-13-6-8-14(16)9-7-13/h6-9,11-12H,3-5,10,16H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16784397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).