1-hydroxypiperidine-3,4,5-triol

C5H11NO4 — CID 89313318

IUPAC1-hydroxypiperidine-3,4,5-triol
SMILESOC1CN(O)CC(O)C1O
InChIInChI=1S/C5H11NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-10H,1-2H2
InChIKeyBKBUECIYHLEVTR-UHFFFAOYSA-N
MW149.15 g/mol
LogP-2.23
Rot. Bonds

About 1-hydroxypiperidine-3,4,5-triol

1-hydroxypiperidine-3,4,5-triol (PubChem CID 89313318) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1-hydroxypiperidine-3,4,5-triol.

Molecular Properties

Compound Name1-hydroxypiperidine-3,4,5-triol
PubChem CID89313318
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name1-hydroxypiperidine-3,4,5-triol
SMILESOC1CN(O)CC(O)C1O
InChIInChI=1S/C5H11NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-10H,1-2H2
InChIKeyBKBUECIYHLEVTR-UHFFFAOYSA-N
XLogP-2.23
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypiperidine-3,4,5-triol?
The IUPAC name of 1-hydroxypiperidine-3,4,5-triol (CID 89313318) is 1-hydroxypiperidine-3,4,5-triol.
What is the SMILES notation for 1-hydroxypiperidine-3,4,5-triol?
The canonical SMILES for 1-hydroxypiperidine-3,4,5-triol is OC1CN(O)CC(O)C1O.
What is the InChIKey of 1-hydroxypiperidine-3,4,5-triol?
The InChIKey is BKBUECIYHLEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-10H,1-2H2.
What are the key properties of 1-hydroxypiperidine-3,4,5-triol?
1-hydroxypiperidine-3,4,5-triol has a molecular weight of 149.15 g/mol, XLogP of -2.23, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypiperidine-3,4,5-triol is sourced from PubChem (CID 89313318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).