(3R,4S,5S)-5-hexoxypiperidine-3,4-diol

C11H23NO3 — CID 118725591

IUPAC(3R,4S,5S)-5-hexoxypiperidine-3,4-diol
SMILESCCCCCCO[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-15-10-8-12-7-9(13)11(10)14/h9-14H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyYLAJZSYMTLQYDO-VWYCJHECSA-N
MW217.31 g/mol
LogP0.28
Rot. Bonds6

About (3R,4S,5S)-5-hexoxypiperidine-3,4-diol

(3R,4S,5S)-5-hexoxypiperidine-3,4-diol (PubChem CID 118725591) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S,5S)-5-hexoxypiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5S)-5-hexoxypiperidine-3,4-diol
PubChem CID118725591
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3R,4S,5S)-5-hexoxypiperidine-3,4-diol
SMILESCCCCCCO[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-15-10-8-12-7-9(13)11(10)14/h9-14H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyYLAJZSYMTLQYDO-VWYCJHECSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
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 (3R,4S,5S)-5-hexoxypiperidine-3,4-diol?
The IUPAC name of (3R,4S,5S)-5-hexoxypiperidine-3,4-diol (CID 118725591) is (3R,4S,5S)-5-hexoxypiperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5S)-5-hexoxypiperidine-3,4-diol?
The canonical SMILES for (3R,4S,5S)-5-hexoxypiperidine-3,4-diol is CCCCCCO[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-5-hexoxypiperidine-3,4-diol?
The InChIKey is YLAJZSYMTLQYDO-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-6-15-10-8-12-7-9(13)11(10)14/h9-14H,2-8H2,1H3/t9-,10+,11+/m1/s1.
What are the key properties of (3R,4S,5S)-5-hexoxypiperidine-3,4-diol?
(3R,4S,5S)-5-hexoxypiperidine-3,4-diol has a molecular weight of 217.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-hexoxypiperidine-3,4-diol is sourced from PubChem (CID 118725591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).