2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol

C14H29NO4 — CID 162861029

IUPAC2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol
SMILESOCCCCCCCCC1NC(CO)C(O)CC1O
InChIInChI=1S/C14H29NO4/c16-8-6-4-2-1-3-5-7-11-13(18)9-14(19)12(10-17)15-11/h11-19H,1-10H2
InChIKeyMWUCKCWAPCHTGR-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.15
Rot. Bonds9

About 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol

2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol (PubChem CID 162861029) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol
PubChem CID162861029
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol
SMILESOCCCCCCCCC1NC(CO)C(O)CC1O
InChIInChI=1S/C14H29NO4/c16-8-6-4-2-1-3-5-7-11-13(18)9-14(19)12(10-17)15-11/h11-19H,1-10H2
InChIKeyMWUCKCWAPCHTGR-UHFFFAOYSA-N
XLogP0.15
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol?
The IUPAC name of 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol (CID 162861029) is 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol is OCCCCCCCCC1NC(CO)C(O)CC1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol?
The InChIKey is MWUCKCWAPCHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c16-8-6-4-2-1-3-5-7-11-13(18)9-14(19)12(10-17)15-11/h11-19H,1-10H2.
What are the key properties of 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol?
2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol has a molecular weight of 275.39 g/mol, XLogP of 0.15, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,5-diol is sourced from PubChem (CID 162861029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).