2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one

C18H28N2O2 — CID 78786280

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCOc1ccc(CN(C)C(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-4-22-17-10-8-16(9-11-17)14-19(3)15(2)18(21)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3
InChIKeyZYHGVRGLEOQTAT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.92
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one

2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 78786280) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID78786280
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCCOc1ccc(CN(C)C(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-4-22-17-10-8-16(9-11-17)14-19(3)15(2)18(21)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3
InChIKeyZYHGVRGLEOQTAT-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]propan-1-one
CID 86976500
ethyl 1-[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoyl]piperidine-3-carboxylate
CID 55541761
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
(2R)-2-[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 95278906
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374
2-[4-[[methyl-[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 99927298
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one (CID 78786280) is 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one is CCOc1ccc(CN(C)C(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZYHGVRGLEOQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-22-17-10-8-16(9-11-17)14-19(3)15(2)18(21)20-12-6-5-7-13-20/h8-11,15H,4-7,12-14H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78786280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).