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

C12H23NO — CID 58688971

IUPAC1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(14)13-7-5-6-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyQAEXIMQXFUMWSL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds2

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

1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 58688971) 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-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID58688971
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-10(2)8-11(14)13-7-5-6-12(3,4)9-13/h10H,5-9H2,1-4H3
InChIKeyQAEXIMQXFUMWSL-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

1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
CID 79280233
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300164
3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 115623852
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
CID 107392505

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one (CID 58688971) is 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is QAEXIMQXFUMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-11(14)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-1-one?
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-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 1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 58688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).