1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one

C15H21NO — CID 79397286

IUPAC1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
SMILESCc1cc(C)cc(N2CCC(=O)C(C)C2C)c1
InChIInChI=1S/C15H21NO/c1-10-7-11(2)9-14(8-10)16-6-5-15(17)12(3)13(16)4/h7-9,12-13H,5-6H2,1-4H3
InChIKeyBUNJAYFIYPRKKF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.11
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one

1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one (PubChem CID 79397286) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
PubChem CID79397286
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one
SMILESCc1cc(C)cc(N2CCC(=O)C(C)C2C)c1
InChIInChI=1S/C15H21NO/c1-10-7-11(2)9-14(8-10)16-6-5-15(17)12(3)13(16)4/h7-9,12-13H,5-6H2,1-4H3
InChIKeyBUNJAYFIYPRKKF-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one (CID 79397286) is 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one is Cc1cc(C)cc(N2CCC(=O)C(C)C2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one?
The InChIKey is BUNJAYFIYPRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-7-11(2)9-14(8-10)16-6-5-15(17)12(3)13(16)4/h7-9,12-13H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one?
1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).