(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol

C12H26N2O3 — CID 171392759

IUPAC(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESNCCCCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H26N2O3/c13-5-3-1-2-4-6-14-7-10(9-15)12(17)11(16)8-14/h10-12,15-17H,1-9,13H2/t10-,11-,12-/m1/s1
InChIKeyKGWBQKXDNCIMGO-IJLUTSLNSA-N
MW246.35 g/mol
LogP-0.85
Rot. Bonds7

About (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 171392759) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID171392759
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol
SMILESNCCCCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C12H26N2O3/c13-5-3-1-2-4-6-14-7-10(9-15)12(17)11(16)8-14/h10-12,15-17H,1-9,13H2/t10-,11-,12-/m1/s1
InChIKeyKGWBQKXDNCIMGO-IJLUTSLNSA-N
XLogP-0.85
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol 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 (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol (CID 171392759) is (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol is NCCCCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is KGWBQKXDNCIMGO-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H26N2O3/c13-5-3-1-2-4-6-14-7-10(9-15)12(17)11(16)8-14/h10-12,15-17H,1-9,13H2/t10-,11-,12-/m1/s1.
What are the key properties of (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 246.35 g/mol, XLogP of -0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-(6-aminohexyl)-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 171392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).