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

C₁₁H₂₃NO₃ — CID 122657813

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

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol (PubChem CID 122657813) has the molecular formula C₁₁H₂₃NO₃ and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol
• PubChem CID: 122657813
• Molecular Formula: C₁₁H₂₃NO₃
• Molecular Weight: 217.31 g/mol
• Exact Mass: 217.17
• IUPAC Name: (3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol
• SMILES: CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
• InChI: InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
• InChIKey: HEXGKPRMUKYMCW-ZDCRXTMVSA-N
• XLogP: -0.13
• TPSA: 72.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.31
LogP ≤ 5	-0.13
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-pentylpiperidine-3,4-diol?

The IUPAC name of (3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol (CID 122657813) is (3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol.

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

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

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

The InChIKey is HEXGKPRMUKYMCW-ZDCRXTMVSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1.

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

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-pentylpiperidine-3,4-diol has a molecular weight of 217.31 g/mol, XLogP of -0.13, 5 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-pentylpiperidine-3,4-diol is sourced from PubChem (CID 122657813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122657813 — identifiers, structure, computed properties (public domain)

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