2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one

C17H26N2O — CID 80556941

IUPAC2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCCC1CCCN(C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-4-13-6-5-11-19(12-13)16(20)17(2,3)14-7-9-15(18)10-8-14/h7-10,13H,4-6,11-12,18H2,1-3H3
InChIKeyXUFPEOZZXVPJOP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.19
Rot. Bonds3

About 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 80556941) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID80556941
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCCC1CCCN(C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-4-13-6-5-11-19(12-13)16(20)17(2,3)14-7-9-15(18)10-8-14/h7-10,13H,4-6,11-12,18H2,1-3H3
InChIKeyXUFPEOZZXVPJOP-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one (CID 80556941) is 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one is CCC1CCCN(C(=O)C(C)(C)c2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is XUFPEOZZXVPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13-6-5-11-19(12-13)16(20)17(2,3)14-7-9-15(18)10-8-14/h7-10,13H,4-6,11-12,18H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-ethylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 80556941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).