2-(hydroxymethyl)piperidine-3,4,5-triol

C6H13NO4 — CID 1374

IUPAC2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1NCC(O)C(O)C1O
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
InChIKeyLXBIFEVIBLOUGU-UHFFFAOYSA-N
MW163.17 g/mol
LogP-2.97
Rot. Bonds1

About 2-(hydroxymethyl)piperidine-3,4,5-triol

2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 1374) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID1374
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1NCC(O)C(O)C1O
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
InChIKeyLXBIFEVIBLOUGU-UHFFFAOYSA-N
XLogP-2.97
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)piperidine-3,4,5-triol (CID 1374) is 2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)piperidine-3,4,5-triol is OCC1NCC(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is LXBIFEVIBLOUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2.
What are the key properties of 2-(hydroxymethyl)piperidine-3,4,5-triol?
2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 163.17 g/mol, XLogP of -2.97, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 1374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).