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

C10H22N2O4 — CID 134893274

IUPAC(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCCCNC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H22N2O4/c1-2-3-4-11-10-9(16)8(15)7(14)6(5-13)12-10/h6-16H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyVYCYPLBUSLBVKU-ZKZCYXTQSA-N
MW234.30 g/mol
LogP-2.25
Rot. Bonds5

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

(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 134893274) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID134893274
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCCCNC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H22N2O4/c1-2-3-4-11-10-9(16)8(15)7(14)6(5-13)12-10/h6-16H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyVYCYPLBUSLBVKU-ZKZCYXTQSA-N
XLogP-2.25
TPSA104.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.30
LogP ≤ 5-2.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol with MolForge

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

Launch Full Analysis

Related Compounds

Migalastat
CID 176077
Deoxynojirimycin
CID 29435
1-Deoxymannojirimycin
CID 72258
2-(Hydroxymethyl)piperidine-3,4,5-triol
CID 1374
1-Deoxynojirimycin Hydrochloride
CID 13018787
(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
CID 159496
Migalastat Hydrochloride
CID 11644097
Alpha-7-Deoxyhomonojirimycin
CID 10921056
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475030
Beta-Homofuconojirimycin
CID 469851
(2R,3R,5R,6S)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 6475029
Homomannojirimycin
CID 195553

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol (CID 134893274) is (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol is CCCCNC1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is VYCYPLBUSLBVKU-ZKZCYXTQSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-2-3-4-11-10-9(16)8(15)7(14)6(5-13)12-10/h6-16H,2-5H2,1H3/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol?
(3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 234.30 g/mol, XLogP of -2.25, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-2-(butylamino)-6-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 134893274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).