1,2,2,3,5,6,6-heptamethylpiperidin-4-one

C12H23NO — CID 14811804

IUPAC1,2,2,3,5,6,6-heptamethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C12H23NO/c1-8-10(14)9(2)12(5,6)13(7)11(8,3)4/h8-9H,1-7H3
InChIKeyRYKKSSSXUVARHB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds

About 1,2,2,3,5,6,6-heptamethylpiperidin-4-one

1,2,2,3,5,6,6-heptamethylpiperidin-4-one (PubChem CID 14811804) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1,2,2,3,5,6,6-heptamethylpiperidin-4-one.

Molecular Properties

Compound Name1,2,2,3,5,6,6-heptamethylpiperidin-4-one
PubChem CID14811804
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1,2,2,3,5,6,6-heptamethylpiperidin-4-one
SMILESCC1C(=O)C(C)C(C)(C)N(C)C1(C)C
InChIInChI=1S/C12H23NO/c1-8-10(14)9(2)12(5,6)13(7)11(8,3)4/h8-9H,1-7H3
InChIKeyRYKKSSSXUVARHB-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,5,6,6-heptamethylpiperidin-4-one?
The IUPAC name of 1,2,2,3,5,6,6-heptamethylpiperidin-4-one (CID 14811804) is 1,2,2,3,5,6,6-heptamethylpiperidin-4-one.
What is the SMILES notation for 1,2,2,3,5,6,6-heptamethylpiperidin-4-one?
The canonical SMILES for 1,2,2,3,5,6,6-heptamethylpiperidin-4-one is CC1C(=O)C(C)C(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,3,5,6,6-heptamethylpiperidin-4-one?
The InChIKey is RYKKSSSXUVARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8-10(14)9(2)12(5,6)13(7)11(8,3)4/h8-9H,1-7H3.
What are the key properties of 1,2,2,3,5,6,6-heptamethylpiperidin-4-one?
1,2,2,3,5,6,6-heptamethylpiperidin-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,5,6,6-heptamethylpiperidin-4-one is sourced from PubChem (CID 14811804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).