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

C15H31NO3 — CID 57340004

IUPAC5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
SMILESCCCCCCCCCC1NCC(O)C(O)C1CO
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
InChIKeyFAUJNJKIHJSYDO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.43
Rot. Bonds9

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

5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol (PubChem CID 57340004) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
PubChem CID57340004
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol
SMILESCCCCCCCCCC1NCC(O)C(O)C1CO
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
InChIKeyFAUJNJKIHJSYDO-UHFFFAOYSA-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 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?
The IUPAC name of 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol (CID 57340004) is 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol is CCCCCCCCCC1NCC(O)C(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?
The InChIKey is FAUJNJKIHJSYDO-UHFFFAOYSA-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.
What are the key properties of 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol?
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 5-(hydroxymethyl)-6-nonylpiperidine-3,4-diol is sourced from PubChem (CID 57340004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).