1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one

C19H29NO2 — CID 110418717

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
SMILESCCOCC1CCCN(C(=O)CCCc2ccccc2C)C1
InChIInChI=1S/C19H29NO2/c1-3-22-15-17-9-7-13-20(14-17)19(21)12-6-11-18-10-5-4-8-16(18)2/h4-5,8,10,17H,3,6-7,9,11-15H2,1-2H3
InChIKeyGRBCSBJUOFZORT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one

1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one (PubChem CID 110418717) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
PubChem CID110418717
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
SMILESCCOCC1CCCN(C(=O)CCCc2ccccc2C)C1
InChIInChI=1S/C19H29NO2/c1-3-22-15-17-9-7-13-20(14-17)19(21)12-6-11-18-10-5-4-8-16(18)2/h4-5,8,10,17H,3,6-7,9,11-15H2,1-2H3
InChIKeyGRBCSBJUOFZORT-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
CID 115277015
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
2-(3,4-dimethylphenoxy)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617181
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one (CID 110418717) is 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one is CCOCC1CCCN(C(=O)CCCc2ccccc2C)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one?
The InChIKey is GRBCSBJUOFZORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-22-15-17-9-7-13-20(14-17)19(21)12-6-11-18-10-5-4-8-16(18)2/h4-5,8,10,17H,3,6-7,9,11-15H2,1-2H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one?
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 110418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).