(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol

C11H23NO3 — CID 46866608

IUPAC(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
SMILESCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(13)7-12-8/h8-15H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1
InChIKeyJVCIUBNETYXXOR-ZNSHCXBVSA-N
MW217.31 g/mol
LogP0.01
Rot. Bonds5

About (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol

(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol (PubChem CID 46866608) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
PubChem CID46866608
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
SMILESCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(13)7-12-8/h8-15H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1
InChIKeyJVCIUBNETYXXOR-ZNSHCXBVSA-N
XLogP0.01
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol (CID 46866608) is (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol is CCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol?
The InChIKey is JVCIUBNETYXXOR-ZNSHCXBVSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(13)7-12-8/h8-15H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol has a molecular weight of 217.31 g/mol, XLogP of 0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol is sourced from PubChem (CID 46866608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).