2,2,6,6-tetramethylpiperidin-4-one;hydrate

C9H19NO2 — CID 22397602

IUPAC2,2,6,6-tetramethylpiperidin-4-one;hydrate
SMILESCC1(C)CC(=O)CC(C)(C)N1.O
InChIInChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2
InChIKeySFDODBGIDPNFEH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds

About 2,2,6,6-tetramethylpiperidin-4-one;hydrate

2,2,6,6-tetramethylpiperidin-4-one;hydrate (PubChem CID 22397602) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,2,6,6-tetramethylpiperidin-4-one;hydrate.

Molecular Properties

Compound Name2,2,6,6-tetramethylpiperidin-4-one;hydrate
PubChem CID22397602
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2,2,6,6-tetramethylpiperidin-4-one;hydrate
SMILESCC1(C)CC(=O)CC(C)(C)N1.O
InChIInChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2
InChIKeySFDODBGIDPNFEH-UHFFFAOYSA-N
XLogP0.67
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylpiperidin-4-one;hydrate?
The IUPAC name of 2,2,6,6-tetramethylpiperidin-4-one;hydrate (CID 22397602) is 2,2,6,6-tetramethylpiperidin-4-one;hydrate.
What is the SMILES notation for 2,2,6,6-tetramethylpiperidin-4-one;hydrate?
The canonical SMILES for 2,2,6,6-tetramethylpiperidin-4-one;hydrate is CC1(C)CC(=O)CC(C)(C)N1.O.
What is the InChIKey of 2,2,6,6-tetramethylpiperidin-4-one;hydrate?
The InChIKey is SFDODBGIDPNFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2.
What are the key properties of 2,2,6,6-tetramethylpiperidin-4-one;hydrate?
2,2,6,6-tetramethylpiperidin-4-one;hydrate has a molecular weight of 173.26 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylpiperidin-4-one;hydrate is sourced from PubChem (CID 22397602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).