3,3-dimethylpiperidin-2-one

C7H13NO — CID 11240485

IUPAC3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCCNC1=O
InChIInChI=1S/C7H13NO/c1-7(2)4-3-5-8-6(7)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyVCGTVWAYTIKLRQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds

About 3,3-dimethylpiperidin-2-one

3,3-dimethylpiperidin-2-one (PubChem CID 11240485) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name3,3-dimethylpiperidin-2-one
PubChem CID11240485
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCCNC1=O
InChIInChI=1S/C7H13NO/c1-7(2)4-3-5-8-6(7)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyVCGTVWAYTIKLRQ-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Piperidone
CID 12665
3,3-Diethyl-2,4-piperidinedione
CID 6465
3-Methylpiperidin-2-one
CID 107169
3-Ethylpiperidin-2-one
CID 10909585
5,5-Dimethylpiperidin-2-one
CID 10479660
5-Methylpiperidin-2-one
CID 10877083
4-Methylpiperidin-2-one
CID 14146878
4-Ethylpiperidin-2-one
CID 179570
4,4-Dimethylpiperidin-2-one
CID 12202097
3,3-Diethyl-2-piperidinone
CID 10329495
3-Ethyl-3-methylpiperidin-2-one
CID 10773081
3-Methyl-6-oxopiperidine-3-carbonitrile
CID 122163268

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperidin-2-one?
The IUPAC name of 3,3-dimethylpiperidin-2-one (CID 11240485) is 3,3-dimethylpiperidin-2-one.
What is the SMILES notation for 3,3-dimethylpiperidin-2-one?
The canonical SMILES for 3,3-dimethylpiperidin-2-one is CC1(C)CCCNC1=O.
What is the InChIKey of 3,3-dimethylpiperidin-2-one?
The InChIKey is VCGTVWAYTIKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)4-3-5-8-6(7)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 3,3-dimethylpiperidin-2-one?
3,3-dimethylpiperidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperidin-2-one is sourced from PubChem (CID 11240485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).