1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one

C12H23NO — CID 79395843

IUPAC1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CN1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)11(14)8-13-7-5-6-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyMJDVUIXULKBSPU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one

1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one (PubChem CID 79395843) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
PubChem CID79395843
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
SMILESCC(C)C(=O)CN1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)11(14)8-13-7-5-6-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyMJDVUIXULKBSPU-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
CID 176578535
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-2-one
CID 130663038
1-(3,3-dimethylazepan-1-yl)propan-2-ol
CID 131175747
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
3-(3,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64789822
1-ethyl-3,3-dimethylazepane
CID 90730492
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one (CID 79395843) is 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one is CC(C)C(=O)CN1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one?
The InChIKey is MJDVUIXULKBSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)11(14)8-13-7-5-6-12(3,4)9-13/h10H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one?
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one is sourced from PubChem (CID 79395843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).