2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one

C13H25NO — CID 91129549

IUPAC2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3
InChIKeyGJHIURAYWBMRPE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one

2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one (PubChem CID 91129549) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
PubChem CID91129549
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3
InChIKeyGJHIURAYWBMRPE-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252
2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 76981202
tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
CID 129491011
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
N-cyclohexyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305201

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one (CID 91129549) is 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one is CC(C)C(=O)C(C)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The InChIKey is GJHIURAYWBMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 91129549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).