1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one

C15H21NO — CID 117020025

IUPAC1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2(C)C)cc1C
InChIInChI=1S/C15H21NO/c1-11-5-6-13(9-12(11)2)16-8-7-14(17)10-15(16,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeySFDQJNFBEMUGLM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one

1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one (PubChem CID 117020025) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
PubChem CID117020025
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2(C)C)cc1C
InChIInChI=1S/C15H21NO/c1-11-5-6-13(9-12(11)2)16-8-7-14(17)10-15(16,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeySFDQJNFBEMUGLM-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027
1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020066
1-(3,4-dimethylphenyl)pyrrolidin-3-one
CID 23052682
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
1-(4-amino-3-methylphenyl)piperidin-4-one
CID 58962442
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(3,4-dimethylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64958683
1-(3-iodo-4-methylphenyl)piperidin-4-one
CID 130498128
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(3,4-dimethylphenyl)-1,4-diazocan-5-one
CID 117015442
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethylpyrrolidin-3-one
CID 117018076

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one (CID 117020025) is 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one is Cc1ccc(N2CCC(=O)CC2(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The InChIKey is SFDQJNFBEMUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-6-13(9-12(11)2)16-8-7-14(17)10-15(16,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 117020025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).