3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one

C16H22N2O — CID 120610694

IUPAC3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
SMILESC=CC1CCN(C(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C16H22N2O/c1-2-13-9-11-18(12-10-13)16(19)8-7-14-5-3-4-6-15(14)17/h2-6,13H,1,7-12,17H2
InChIKeyUSXXWYIXRYRBFW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one (PubChem CID 120610694) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
PubChem CID120610694
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
SMILESC=CC1CCN(C(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C16H22N2O/c1-2-13-9-11-18(12-10-13)16(19)8-7-14-5-3-4-6-15(14)17/h2-6,13H,1,7-12,17H2
InChIKeyUSXXWYIXRYRBFW-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 107272971
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 120609365
3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
CID 82015246
3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844
3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107273470
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
3-[1-[3-(2-aminophenyl)propanoyl]pyrrolidin-3-yl]propanoic acid
CID 107273313
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120608110
3-(2-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369332

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one (CID 120610694) is 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one is C=CC1CCN(C(=O)CCc2ccccc2N)CC1.
What is the InChIKey of 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one?
The InChIKey is USXXWYIXRYRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-13-9-11-18(12-10-13)16(19)8-7-14-5-3-4-6-15(14)17/h2-6,13H,1,7-12,17H2.
What are the key properties of 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 120610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).