1,3,3,4-tetramethylpiperidin-2-one

C9H17NO — CID 18413099

IUPAC1,3,3,4-tetramethylpiperidin-2-one
SMILESCC1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-7-5-6-10(4)8(11)9(7,2)3/h7H,5-6H2,1-4H3
InChIKeyGDJQNGMJGMABLV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds

About 1,3,3,4-tetramethylpiperidin-2-one

1,3,3,4-tetramethylpiperidin-2-one (PubChem CID 18413099) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,3,3,4-tetramethylpiperidin-2-one.

Molecular Properties

Compound Name1,3,3,4-tetramethylpiperidin-2-one
PubChem CID18413099
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,3,3,4-tetramethylpiperidin-2-one
SMILESCC1CCN(C)C(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-7-5-6-10(4)8(11)9(7,2)3/h7H,5-6H2,1-4H3
InChIKeyGDJQNGMJGMABLV-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4-tetramethylpiperidin-2-one?
The IUPAC name of 1,3,3,4-tetramethylpiperidin-2-one (CID 18413099) is 1,3,3,4-tetramethylpiperidin-2-one.
What is the SMILES notation for 1,3,3,4-tetramethylpiperidin-2-one?
The canonical SMILES for 1,3,3,4-tetramethylpiperidin-2-one is CC1CCN(C)C(=O)C1(C)C.
What is the InChIKey of 1,3,3,4-tetramethylpiperidin-2-one?
The InChIKey is GDJQNGMJGMABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-6-10(4)8(11)9(7,2)3/h7H,5-6H2,1-4H3.
What are the key properties of 1,3,3,4-tetramethylpiperidin-2-one?
1,3,3,4-tetramethylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4-tetramethylpiperidin-2-one is sourced from PubChem (CID 18413099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).