(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol

C11H22N2O3 — CID 28962087

IUPAC(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1
InChIInChI=1S/C11H22N2O3/c12-6-8-10(11(15)9(7-14)16-8)13-4-2-1-3-5-13/h8-11,14-15H,1-7,12H2/t8-,9+,10+,11-/m1/s1
InChIKeyYUBAUVUZFJCRRH-VPOLOUISSA-N
MW230.31 g/mol
LogP-1.08
Rot. Bonds3

About (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol

(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol (PubChem CID 28962087) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
PubChem CID28962087
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1
InChIInChI=1S/C11H22N2O3/c12-6-8-10(11(15)9(7-14)16-8)13-4-2-1-3-5-13/h8-11,14-15H,1-7,12H2/t8-,9+,10+,11-/m1/s1
InChIKeyYUBAUVUZFJCRRH-VPOLOUISSA-N
XLogP-1.08
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol (CID 28962087) is (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol is NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1.
What is the InChIKey of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
The InChIKey is YUBAUVUZFJCRRH-VPOLOUISSA-N. The full InChI is InChI=1S/C11H22N2O3/c12-6-8-10(11(15)9(7-14)16-8)13-4-2-1-3-5-13/h8-11,14-15H,1-7,12H2/t8-,9+,10+,11-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol?
(2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol has a molecular weight of 230.31 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-piperidin-1-yloxolan-3-ol is sourced from PubChem (CID 28962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).