2,6-diethylpiperidine-3,4,5-triol

C9H19NO3 — CID 78168139

IUPAC2,6-diethylpiperidine-3,4,5-triol
SMILESCCC1NC(CC)C(O)C(O)C1O
InChIInChI=1S/C9H19NO3/c1-3-5-7(11)9(13)8(12)6(4-2)10-5/h5-13H,3-4H2,1-2H3
InChIKeyOLSJFEJSUNZHMA-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.77
Rot. Bonds2

About 2,6-diethylpiperidine-3,4,5-triol

2,6-diethylpiperidine-3,4,5-triol (PubChem CID 78168139) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2,6-diethylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name2,6-diethylpiperidine-3,4,5-triol
PubChem CID78168139
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2,6-diethylpiperidine-3,4,5-triol
SMILESCCC1NC(CC)C(O)C(O)C1O
InChIInChI=1S/C9H19NO3/c1-3-5-7(11)9(13)8(12)6(4-2)10-5/h5-13H,3-4H2,1-2H3
InChIKeyOLSJFEJSUNZHMA-UHFFFAOYSA-N
XLogP-0.77
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethylpiperidine-3,4,5-triol?
The IUPAC name of 2,6-diethylpiperidine-3,4,5-triol (CID 78168139) is 2,6-diethylpiperidine-3,4,5-triol.
What is the SMILES notation for 2,6-diethylpiperidine-3,4,5-triol?
The canonical SMILES for 2,6-diethylpiperidine-3,4,5-triol is CCC1NC(CC)C(O)C(O)C1O.
What is the InChIKey of 2,6-diethylpiperidine-3,4,5-triol?
The InChIKey is OLSJFEJSUNZHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-5-7(11)9(13)8(12)6(4-2)10-5/h5-13H,3-4H2,1-2H3.
What are the key properties of 2,6-diethylpiperidine-3,4,5-triol?
2,6-diethylpiperidine-3,4,5-triol has a molecular weight of 189.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylpiperidine-3,4,5-triol is sourced from PubChem (CID 78168139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).