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

C14H29NO3 — CID 11988371

IUPAC(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
SMILESCCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
InChIKeyWVYPOMDXOXCTJU-MQYQWHSLSA-N
MW259.39 g/mol
LogP1.18
Rot. Bonds8

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

(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol (PubChem CID 11988371) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
PubChem CID11988371
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
SMILESCCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
InChIKeyWVYPOMDXOXCTJU-MQYQWHSLSA-N
XLogP1.18
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.18
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-nonylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol (CID 11988371) is (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol is CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol?
The InChIKey is WVYPOMDXOXCTJU-MQYQWHSLSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol has a molecular weight of 259.39 g/mol, XLogP of 1.18, 8 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-nonylpiperidine-3,4,5-triol is sourced from PubChem (CID 11988371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).