5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol

C9H19NO4 — CID 57340003

IUPAC5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol
SMILESOCCCC1NCC(O)C(O)C1CO
InChIInChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2
InChIKeyONRQATVXGSHIBI-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.94
Rot. Bonds4

About 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol

5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol (PubChem CID 57340003) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol
PubChem CID57340003
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol
SMILESOCCCC1NCC(O)C(O)C1CO
InChIInChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2
InChIKeyONRQATVXGSHIBI-UHFFFAOYSA-N
XLogP-1.94
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol?
The IUPAC name of 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol (CID 57340003) is 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol is OCCCC1NCC(O)C(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol?
The InChIKey is ONRQATVXGSHIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2.
What are the key properties of 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol?
5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol has a molecular weight of 205.25 g/mol, XLogP of -1.94, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-(3-hydroxypropyl)piperidine-3,4-diol is sourced from PubChem (CID 57340003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).