1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one

C13H25NO — CID 63158733

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(C)(CC)CC1
InChIInChI=1S/C13H25NO/c1-4-6-12(15)11-14-9-7-13(3,5-2)8-10-14/h4-11H2,1-3H3
InChIKeyYIORFWMEZQVTQO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one

1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one (PubChem CID 63158733) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one
PubChem CID63158733
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(C)(CC)CC1
InChIInChI=1S/C13H25NO/c1-4-6-12(15)11-14-9-7-13(3,5-2)8-10-14/h4-11H2,1-3H3
InChIKeyYIORFWMEZQVTQO-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one (CID 63158733) is 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one is CCCC(=O)CN1CCC(C)(CC)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one?
The InChIKey is YIORFWMEZQVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-12(15)11-14-9-7-13(3,5-2)8-10-14/h4-11H2,1-3H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one?
1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 63158733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).