(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol

C11H21NO3 — CID 118986928

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol
SMILESCC(C)=CCN1CC[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C11H21NO3/c1-8(2)3-5-12-6-4-10(14)11(15)9(12)7-13/h3,9-11,13-15H,4-7H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyIKIFNFUKNFLXAP-GMTAPVOTSA-N
MW215.29 g/mol
LogP-0.26
Rot. Bonds3

About (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol (PubChem CID 118986928) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol
PubChem CID118986928
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol
SMILESCC(C)=CCN1CC[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C11H21NO3/c1-8(2)3-5-12-6-4-10(14)11(15)9(12)7-13/h3,9-11,13-15H,4-7H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyIKIFNFUKNFLXAP-GMTAPVOTSA-N
XLogP-0.26
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol (CID 118986928) is (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol is CC(C)=CCN1CC[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol?
The InChIKey is IKIFNFUKNFLXAP-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)3-5-12-6-4-10(14)11(15)9(12)7-13/h3,9-11,13-15H,4-7H2,1-2H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol has a molecular weight of 215.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-1-(3-methylbut-2-enyl)piperidine-3,4-diol is sourced from PubChem (CID 118986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).