1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one

C14H27NO2 — CID 91126366

IUPAC1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one
SMILESCCCC1(C)CC(=O)C(C)C(C)(CCC)N1O
InChIInChI=1S/C14H27NO2/c1-6-8-13(4)10-12(16)11(3)14(5,9-7-2)15(13)17/h11,17H,6-10H2,1-5H3
InChIKeyHBMKSRUACBVJCU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.40
Rot. Bonds4

About 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one

1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one (PubChem CID 91126366) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one.

Molecular Properties

Compound Name1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one
PubChem CID91126366
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one
SMILESCCCC1(C)CC(=O)C(C)C(C)(CCC)N1O
InChIInChI=1S/C14H27NO2/c1-6-8-13(4)10-12(16)11(3)14(5,9-7-2)15(13)17/h11,17H,6-10H2,1-5H3
InChIKeyHBMKSRUACBVJCU-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one?
The IUPAC name of 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one (CID 91126366) is 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one.
What is the SMILES notation for 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one?
The canonical SMILES for 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one is CCCC1(C)CC(=O)C(C)C(C)(CCC)N1O.
What is the InChIKey of 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one?
The InChIKey is HBMKSRUACBVJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-13(4)10-12(16)11(3)14(5,9-7-2)15(13)17/h11,17H,6-10H2,1-5H3.
What are the key properties of 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one?
1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one has a molecular weight of 241.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3,6-trimethyl-2,6-dipropylpiperidin-4-one is sourced from PubChem (CID 91126366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).