3-(2,3,5,6-tetramethylphenyl)piperidin-2-one

C15H21NO — CID 82128738

IUPAC3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
SMILESCc1cc(C)c(C)c(C2CCCNC2=O)c1C
InChIInChI=1S/C15H21NO/c1-9-8-10(2)12(4)14(11(9)3)13-6-5-7-16-15(13)17/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyHDGFWZYESVCXOC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds1

About 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one

3-(2,3,5,6-tetramethylphenyl)piperidin-2-one (PubChem CID 82128738) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
PubChem CID82128738
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
SMILESCc1cc(C)c(C)c(C2CCCNC2=O)c1C
InChIInChI=1S/C15H21NO/c1-9-8-10(2)12(4)14(11(9)3)13-6-5-7-16-15(13)17/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyHDGFWZYESVCXOC-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one
CID 82130957
(3S)-3-(4-bromophenyl)piperidin-2-one
CID 86326200
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
N-(2-oxopiperidin-3-yl)formamide
CID 64992680
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
2-(2,3,5,6-tetramethylphenyl)oxirane
CID 82074918
(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
CID 101490827
3-trimethylsilylpiperidin-2-one
CID 46210483
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one?
The IUPAC name of 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one (CID 82128738) is 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one.
What is the SMILES notation for 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one?
The canonical SMILES for 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one is Cc1cc(C)c(C)c(C2CCCNC2=O)c1C.
What is the InChIKey of 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one?
The InChIKey is HDGFWZYESVCXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-8-10(2)12(4)14(11(9)3)13-6-5-7-16-15(13)17/h8,13H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one?
3-(2,3,5,6-tetramethylphenyl)piperidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6-tetramethylphenyl)piperidin-2-one is sourced from PubChem (CID 82128738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).