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

C18H27NO — CID 62612163

IUPAC1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-3-4-16-9-12-19(13-10-16)14-11-18(20)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyUBZJVMPKJPUWDY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds6

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

1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 62612163) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID62612163
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-3-4-16-9-12-19(13-10-16)14-11-18(20)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyUBZJVMPKJPUWDY-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
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
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
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-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
CID 62612812

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one (CID 62612163) is 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is UBZJVMPKJPUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-4-16-9-12-19(13-10-16)14-11-18(20)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one?
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62612163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).