6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one

C14H19NO — CID 117020919

IUPAC6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one
SMILESCc1cccc(N2CC(=O)CCC2(C)C)c1
InChIInChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)15-10-13(16)7-8-14(15,2)3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyNCMIWDBWYLDNMR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.94
Rot. Bonds1

About 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one

6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one (PubChem CID 117020919) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one
PubChem CID117020919
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one
SMILESCc1cccc(N2CC(=O)CCC2(C)C)c1
InChIInChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)15-10-13(16)7-8-14(15,2)3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyNCMIWDBWYLDNMR-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020971
6,6-dimethyl-1-(2-methylphenyl)piperidin-3-one
CID 117020918
1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020929
1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944
[6,6-dimethyl-1-(3-methylphenyl)piperidin-3-yl]methanamine
CID 117021515
1-(2,5-dimethoxyphenyl)-6,6-dimethylpiperidin-3-one
CID 117020960
4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
CID 67104716
4-(3-methylphenyl)-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100943490
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
4,4-dimethyl-2-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82088217
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one (CID 117020919) is 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one is Cc1cccc(N2CC(=O)CCC2(C)C)c1.
What is the InChIKey of 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one?
The InChIKey is NCMIWDBWYLDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)15-10-13(16)7-8-14(15,2)3/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one?
6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-methylphenyl)piperidin-3-one is sourced from PubChem (CID 117020919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).