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

C15H31NO3 — CID 122657820

IUPAC(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
SMILESCCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=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
InChIKeyFAUJNJKIHJSYDO-YJNKXOJESA-N
MW273.42 g/mol
LogP1.43
Rot. Bonds9

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 CID122657820
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name(3R,4S,5R,6R)-5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
SMILESCCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=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
InChIKeyFAUJNJKIHJSYDO-YJNKXOJESA-N
XLogP1.43
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).