1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

C18H27NO — CID 114594148

IUPAC1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H27NO/c1-12-6-8-17(9-7-12)18(20)16(5)19-11-13(2)10-14(3)15(19)4/h6-9,13-16H,10-11H2,1-5H3
InChIKeyGHSDICULCKNQRP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (PubChem CID 114594148) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
PubChem CID114594148
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C18H27NO/c1-12-6-8-17(9-7-12)18(20)16(5)19-11-13(2)10-14(3)15(19)4/h6-9,13-16H,10-11H2,1-5H3
InChIKeyGHSDICULCKNQRP-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594131
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
CID 60680544
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 82750049
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
CID 43227828
2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114593984
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114593949
1-(3,4-dimethylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 43227858
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237
2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114593963

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (CID 114594148) is 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is Cc1ccc(C(=O)C(C)N2CC(C)CC(C)C2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The InChIKey is GHSDICULCKNQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-6-8-17(9-7-12)18(20)16(5)19-11-13(2)10-14(3)15(19)4/h6-9,13-16H,10-11H2,1-5H3.
What are the key properties of 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114594148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).