3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one

C17H25NO — CID 62613813

IUPAC3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25NO/c1-3-15-8-11-18(12-9-15)13-10-17(19)16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3
InChIKeyIATYZANDUCAYCG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one

3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 62613813) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID62613813
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25NO/c1-3-15-8-11-18(12-9-15)13-10-17(19)16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3
InChIKeyIATYZANDUCAYCG-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 62612643
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (CID 62613813) is 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is CCC1CCN(CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is IATYZANDUCAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-15-8-11-18(12-9-15)13-10-17(19)16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62613813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).