(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol

C11H21NO3 — CID 69407624

IUPAC(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol
SMILESCC(=CC[C@@H]1CNC[C@@H](O)[C@@H]1O)CCO
InChIInChI=1S/C11H21NO3/c1-8(4-5-13)2-3-9-6-12-7-10(14)11(9)15/h2,9-15H,3-7H2,1H3/t9-,10-,11-/m1/s1
InChIKeyDMUZAZFYCQNWQV-GMTAPVOTSA-N
MW215.29 g/mol
LogP-0.35
Rot. Bonds4

About (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol

(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol (PubChem CID 69407624) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol
PubChem CID69407624
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol
SMILESCC(=CC[C@@H]1CNC[C@@H](O)[C@@H]1O)CCO
InChIInChI=1S/C11H21NO3/c1-8(4-5-13)2-3-9-6-12-7-10(14)11(9)15/h2,9-15H,3-7H2,1H3/t9-,10-,11-/m1/s1
InChIKeyDMUZAZFYCQNWQV-GMTAPVOTSA-N
XLogP-0.35
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol (CID 69407624) is (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol is CC(=CC[C@@H]1CNC[C@@H](O)[C@@H]1O)CCO.
What is the InChIKey of (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol?
The InChIKey is DMUZAZFYCQNWQV-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(4-5-13)2-3-9-6-12-7-10(14)11(9)15/h2,9-15H,3-7H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol?
(3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol has a molecular weight of 215.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(5-hydroxy-3-methylpent-2-enyl)piperidine-3,4-diol is sourced from PubChem (CID 69407624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).