1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one

C13H25NO — CID 2904846

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-5-6-12(4)13(15)14-8-10(2)7-11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeySXNGFYCOKWTRKW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one (PubChem CID 2904846) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one
PubChem CID2904846
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-5-6-12(4)13(15)14-8-10(2)7-11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeySXNGFYCOKWTRKW-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one (CID 2904846) is 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one?
The InChIKey is SXNGFYCOKWTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-12(4)13(15)14-8-10(2)7-11(3)9-14/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 2904846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).