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

C7H16N2O4 — CID 141199277

IUPAC(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESNC[C@H]1N[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H16N2O4/c8-1-3-5(11)7(13)6(12)4(2-10)9-3/h3-7,9-13H,1-2,8H2/t3-,4+,5+,6+,7-/m1/s1
InChIKeyZMADHHULLAGROC-PFCGLBSHSA-N
MW192.22 g/mol
LogP-3.64
Rot. Bonds2

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

(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 141199277) has the molecular formula C7H16N2O4 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID141199277
Molecular FormulaC7H16N2O4
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESNC[C@H]1N[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H16N2O4/c8-1-3-5(11)7(13)6(12)4(2-10)9-3/h3-7,9-13H,1-2,8H2/t3-,4+,5+,6+,7-/m1/s1
InChIKeyZMADHHULLAGROC-PFCGLBSHSA-N
XLogP-3.64
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.22
LogP ≤ 5-3.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol (CID 141199277) is (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol is NC[C@H]1N[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is ZMADHHULLAGROC-PFCGLBSHSA-N. The full InChI is InChI=1S/C7H16N2O4/c8-1-3-5(11)7(13)6(12)4(2-10)9-3/h3-7,9-13H,1-2,8H2/t3-,4+,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 192.22 g/mol, XLogP of -3.64, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 141199277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).