2-ethyl-1-hydroxy-6-propylpiperidin-4-one

C10H19NO2 — CID 154933974

IUPAC2-ethyl-1-hydroxy-6-propylpiperidin-4-one
SMILESCCCC1CC(=O)CC(CC)N1O
InChIInChI=1S/C10H19NO2/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h8-9,13H,3-7H2,1-2H3
InChIKeyQRFAWPHBPCTUPO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.99
Rot. Bonds3

About 2-ethyl-1-hydroxy-6-propylpiperidin-4-one

2-ethyl-1-hydroxy-6-propylpiperidin-4-one (PubChem CID 154933974) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-hydroxy-6-propylpiperidin-4-one.

Molecular Properties

Compound Name2-ethyl-1-hydroxy-6-propylpiperidin-4-one
PubChem CID154933974
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-ethyl-1-hydroxy-6-propylpiperidin-4-one
SMILESCCCC1CC(=O)CC(CC)N1O
InChIInChI=1S/C10H19NO2/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h8-9,13H,3-7H2,1-2H3
InChIKeyQRFAWPHBPCTUPO-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxy-6-propylpiperidin-4-one?
The IUPAC name of 2-ethyl-1-hydroxy-6-propylpiperidin-4-one (CID 154933974) is 2-ethyl-1-hydroxy-6-propylpiperidin-4-one.
What is the SMILES notation for 2-ethyl-1-hydroxy-6-propylpiperidin-4-one?
The canonical SMILES for 2-ethyl-1-hydroxy-6-propylpiperidin-4-one is CCCC1CC(=O)CC(CC)N1O.
What is the InChIKey of 2-ethyl-1-hydroxy-6-propylpiperidin-4-one?
The InChIKey is QRFAWPHBPCTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-1-hydroxy-6-propylpiperidin-4-one?
2-ethyl-1-hydroxy-6-propylpiperidin-4-one has a molecular weight of 185.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxy-6-propylpiperidin-4-one is sourced from PubChem (CID 154933974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).