(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol

C9H19NO4 — CID 10932614

IUPAC(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol
SMILESCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h5-14H,2-4H2,1H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyWUPMYSMCQJMDRE-SYHAXYEDSA-N
MW205.25 g/mol
LogP-1.80
Rot. Bonds3

About (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol

(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol (PubChem CID 10932614) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol
PubChem CID10932614
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol
SMILESCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h5-14H,2-4H2,1H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyWUPMYSMCQJMDRE-SYHAXYEDSA-N
XLogP-1.80
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol (CID 10932614) is (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol is CCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol?
The InChIKey is WUPMYSMCQJMDRE-SYHAXYEDSA-N. The full InChI is InChI=1S/C9H19NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h5-14H,2-4H2,1H3/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol?
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol has a molecular weight of 205.25 g/mol, XLogP of -1.80, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-propylpiperidine-3,4,5-triol is sourced from PubChem (CID 10932614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).