(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

C10H21NO4 — CID 130313759

IUPAC(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCC(C)(C)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)11-4-7(13)9(15)8(14)6(11)5-12/h6-9,12-15H,4-5H2,1-3H3/t6-,7-,8+,9+/m0/s1
InChIKeyHNHJSNMCJSXYSC-RBXMUDONSA-N
MW219.28 g/mol
LogP-1.46
Rot. Bonds1

About (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 130313759) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID130313759
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCC(C)(C)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)11-4-7(13)9(15)8(14)6(11)5-12/h6-9,12-15H,4-5H2,1-3H3/t6-,7-,8+,9+/m0/s1
InChIKeyHNHJSNMCJSXYSC-RBXMUDONSA-N
XLogP-1.46
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 130313759) is (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol is CC(C)(C)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO.
What is the InChIKey of (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is HNHJSNMCJSXYSC-RBXMUDONSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)11-4-7(13)9(15)8(14)6(11)5-12/h6-9,12-15H,4-5H2,1-3H3/t6-,7-,8+,9+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 219.28 g/mol, XLogP of -1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 130313759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).