4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one

C12H23NO — CID 134555227

IUPAC4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(C)N1CCC(C)(C)CC1=O
InChIInChI=1S/C12H23NO/c1-9(2)10(3)13-7-6-12(4,5)8-11(13)14/h9-10H,6-8H2,1-5H3
InChIKeyAZZUNXKXLXNSTH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds2

About 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one

4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one (PubChem CID 134555227) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one
PubChem CID134555227
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(C)N1CCC(C)(C)CC1=O
InChIInChI=1S/C12H23NO/c1-9(2)10(3)13-7-6-12(4,5)8-11(13)14/h9-10H,6-8H2,1-5H3
InChIKeyAZZUNXKXLXNSTH-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
CID 112546718
1-(3-hydroxybutan-2-yl)-5,5-dimethylazepan-2-one
CID 79005189
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
4,4-dimethyl-1-phosphanylpiperidin-2-one
CID 143261416
4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
CID 130663665
4,4-dimethyl-1-(1-sulfanylethyl)pyrrolidin-2-one
CID 167219015
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-4,4-dimethylpiperidin-2-one
CID 20635188
1-but-3-ynyl-4,4-dimethylpiperidin-2-one
CID 130664265
4,4-dimethyl-1-pent-4-ynylpiperidin-2-one
CID 131115488
3-(4,4-dimethyl-2-oxopiperidin-1-yl)propanethioamide
CID 126989654
1-(3-methylbutan-2-yl)-3-methylidenepyrrolidin-2-one
CID 155354880
1-(3-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 122537450

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one?
The IUPAC name of 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one (CID 134555227) is 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one is CC(C)C(C)N1CCC(C)(C)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one?
The InChIKey is AZZUNXKXLXNSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)10(3)13-7-6-12(4,5)8-11(13)14/h9-10H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one?
4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one is sourced from PubChem (CID 134555227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).