(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane

C₁₆H₃₃NO₃ — CID 157039479

About (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane

(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane (PubChem CID 157039479) has the molecular formula C₁₆H₃₃NO₃ and a molecular weight of 287.44 g/mol. Its IUPAC name is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane.

Molecular Properties

• Compound Name: (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane
• PubChem CID: 157039479
• Molecular Formula: C₁₆H₃₃NO₃
• Molecular Weight: 287.44 g/mol
• Exact Mass: 287.25
• IUPAC Name: (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane
• SMILES: CCC.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1
• InChI: InChI=1S/C13H25NO3.C3H8/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-3-2/h10-13,15-17H,1-9H2;3H2,1-2H3/t11-,12?,13+;/m1./s1
• InChIKey: PMQAWZATFHRZNF-CSYBZOQDSA-N
• XLogP: 1.77
• TPSA: 63.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.44
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?

The IUPAC name of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane (CID 157039479) is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane.

What is the SMILES notation for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?

The canonical SMILES for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane is CCC.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1.

What is the InChIKey of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?

The InChIKey is PMQAWZATFHRZNF-CSYBZOQDSA-N. The full InChI is InChI=1S/C13H25NO3.C3H8/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-3-2/h10-13,15-17H,1-9H2;3H2,1-2H3/t11-,12?,13+;/m1./s1.

What are the key properties of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?

(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane has a molecular weight of 287.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane is sourced from PubChem (CID 157039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157039479 — identifiers, structure, computed properties (public domain)

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