2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C17H26N2O — CID 62392311

IUPAC2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ccccc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-3-15-9-5-6-10-16(15)13-18-14(2)17(20)19-11-7-4-8-12-19/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyZABJZXHRIXBGSB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds5

About 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 62392311) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID62392311
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ccccc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C17H26N2O/c1-3-15-9-5-6-10-16(15)13-18-14(2)17(20)19-11-7-4-8-12-19/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyZABJZXHRIXBGSB-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one 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

1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
2-fluoro-3-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 107114790
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 62392311) is 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is CCc1ccccc1CNC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZABJZXHRIXBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-15-9-5-6-10-16(15)13-18-14(2)17(20)19-11-7-4-8-12-19/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 62392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).