1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one

C13H25NO — CID 58116629

IUPAC1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-12(15)14-8-6-7-11(10-14)9-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyDEYOAFGILXMZHQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds2

About 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one

1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one (PubChem CID 58116629) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one
PubChem CID58116629
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-12(15)14-8-6-7-11(10-14)9-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyDEYOAFGILXMZHQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54582001
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Piperidine,1-(2,2,4,4-tetramethylvaleryl)-
CID 208728
Acetamide, N-methyl-N-(2-propylpentyl)-
CID 3040954
Acetamide, N-ethyl-N-(2-propylpentyl)-
CID 3040955
1-Piperidino-2-ethyl-1-butanone
CID 5052838
Cyclopropyl(2-azaspiro[5.5]undecan-2-yl)methanone
CID 54586816
1-(4-Tert-butylpiperidin-1-yl)but-2-yn-1-one
CID 13662400
1-(4-Cyclopropylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750056
1-(4-Methylpiperidin-1-yl)butan-1-one
CID 304112
1-(2-Azaspiro[5.6]dodecan-2-yl)ethan-1-one
CID 86769488
N,N-bis(2-ethylhexyl)-2,2-dimethylpropanamide
CID 15894971

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one (CID 58116629) is 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(CC(C)(C)C)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one?
The InChIKey is DEYOAFGILXMZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-12(15)14-8-6-7-11(10-14)9-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one?
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58116629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).