(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol

C₁₅H₃₁NO₃ — CID 122657820

About (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol (PubChem CID 122657820) has the molecular formula C₁₅H₃₁NO₃ and a molecular weight of 273.42 g/mol. Its IUPAC name is (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
• PubChem CID: 122657820
• Molecular Formula: C₁₅H₃₁NO₃
• Molecular Weight: 273.42 g/mol
• Exact Mass: 273.23
• IUPAC Name: (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
• SMILES: CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
• InChI: InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
• InChIKey: FAUJNJKIHJSYDO-YJNKXOJESA-N
• XLogP: 1.43
• TPSA: 72.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.42
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?

The IUPAC name of (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol (CID 122657820) is (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol.

What is the SMILES notation for (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?

The canonical SMILES for (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol is CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO.

What is the InChIKey of (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?

The InChIKey is FAUJNJKIHJSYDO-YJNKXOJESA-N. The full InChI is InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1.

What are the key properties of (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol has a molecular weight of 273.42 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol is sourced from PubChem (CID 122657820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122657820 — identifiers, structure, computed properties (public domain)

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