3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one

C18H27NO — CID 63160197

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1(C)CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-7-5-15(2)6-8-16/h5-8H,4,9-14H2,1-3H3
InChIKeyIRLHNCNOQOMBHQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one

3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 63160197) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID63160197
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1(C)CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-7-5-15(2)6-8-16/h5-8H,4,9-14H2,1-3H3
InChIKeyIRLHNCNOQOMBHQ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955
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
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
3-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-1-(4-methylphenyl)propan-1-one
CID 99714023
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63635456
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one (CID 63160197) is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is CCC1(C)CCN(CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is IRLHNCNOQOMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-7-5-15(2)6-8-16/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one?
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 63160197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).