(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol

C16H33NO3 — CID 42608371

IUPAC(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol
SMILESCCC(O)CCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1
InChIKeySEUBYHFHBZVRCC-QGAIPKOMSA-N
MW287.44 g/mol
LogP1.96
Rot. Bonds10

About (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol

(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol (PubChem CID 42608371) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol
PubChem CID42608371
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol
SMILESCCC(O)CCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1
InChIKeySEUBYHFHBZVRCC-QGAIPKOMSA-N
XLogP1.96
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol (CID 42608371) is (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol is CCC(O)CCCCCCC[C@@H]1CC[C@@H](O)[C@@H](CO)N1.
What is the InChIKey of (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol?
The InChIKey is SEUBYHFHBZVRCC-QGAIPKOMSA-N. The full InChI is InChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1.
What are the key properties of (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol?
(2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol has a molecular weight of 287.44 g/mol, XLogP of 1.96, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-6-(8-hydroxydecyl)-2-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 42608371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).