3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one

C16H24N2O — CID 43309137

IUPAC3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CCCC(C)N1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-12-5-3-6-13(2)18(12)16(19)10-9-14-7-4-8-15(17)11-14/h4,7-8,11-13H,3,5-6,9-10,17H2,1-2H3
InChIKeyHVYACAQNGVKMJS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.99
Rot. Bonds3

About 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one

3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 43309137) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
PubChem CID43309137
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CCCC(C)N1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-12-5-3-6-13(2)18(12)16(19)10-9-14-7-4-8-15(17)11-14/h4,7-8,11-13H,3,5-6,9-10,17H2,1-2H3
InChIKeyHVYACAQNGVKMJS-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.99
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-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
3-(3-bromophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 127122318
1-[3-(3-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742921
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43309005
3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495477
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409448
3-(3-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102882275
3-(3-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114591852
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one (CID 43309137) is 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one is CC1CCCC(C)N1C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is HVYACAQNGVKMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-3-6-13(2)18(12)16(19)10-9-14-7-4-8-15(17)11-14/h4,7-8,11-13H,3,5-6,9-10,17H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one?
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).