3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one

C15H29NO — CID 22341843

IUPAC3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one
SMILESCCCC1(C)CC(=O)C(CC)C(C)(CCC)N1
InChIInChI=1S/C15H29NO/c1-6-9-14(4)11-13(17)12(8-3)15(5,16-14)10-7-2/h12,16H,6-11H2,1-5H3
InChIKeyFJJUREOQLBHJDY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.69
Rot. Bonds5

About 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one

3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one (PubChem CID 22341843) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one
PubChem CID22341843
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one
SMILESCCCC1(C)CC(=O)C(CC)C(C)(CCC)N1
InChIInChI=1S/C15H29NO/c1-6-9-14(4)11-13(17)12(8-3)15(5,16-14)10-7-2/h12,16H,6-11H2,1-5H3
InChIKeyFJJUREOQLBHJDY-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one?
The IUPAC name of 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one (CID 22341843) is 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one?
The canonical SMILES for 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one is CCCC1(C)CC(=O)C(CC)C(C)(CCC)N1.
What is the InChIKey of 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one?
The InChIKey is FJJUREOQLBHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-9-14(4)11-13(17)12(8-3)15(5,16-14)10-7-2/h12,16H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one?
3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one has a molecular weight of 239.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-2,6-dipropylpiperidin-4-one is sourced from PubChem (CID 22341843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).