2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol

C7H15NO4 — CID 4381

IUPAC2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
SMILESCN1CC(O)C(O)C(O)C1CO
InChIInChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
InChIKeyAAKDPDFZMNYDLR-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.62
Rot. Bonds1

About 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol

2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol (PubChem CID 4381) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
PubChem CID4381
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
SMILESCN1CC(O)C(O)C(O)C1CO
InChIInChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
InChIKeyAAKDPDFZMNYDLR-UHFFFAOYSA-N
XLogP-2.62
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol (CID 4381) is 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol is CN1CC(O)C(O)C(O)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
The InChIKey is AAKDPDFZMNYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol?
2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol has a molecular weight of 177.20 g/mol, XLogP of -2.62, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 4381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).