(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol

C12H19NO2 — CID 88960491

IUPAC(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol
SMILESC=C/C=C(\C=C)C[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19NO2/c1-3-5-9(4-2)6-10-7-13-8-11(14)12(10)15/h3-5,10-15H,1-2,6-8H2/b9-5+/t10-,11+,12+/m0/s1
InChIKeyKNVGVYYPAIITNN-DEMQSYJASA-N
MW209.29 g/mol
LogP0.62
Rot. Bonds4

About (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol

(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol (PubChem CID 88960491) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol
PubChem CID88960491
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol
SMILESC=C/C=C(\C=C)C[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19NO2/c1-3-5-9(4-2)6-10-7-13-8-11(14)12(10)15/h3-5,10-15H,1-2,6-8H2/b9-5+/t10-,11+,12+/m0/s1
InChIKeyKNVGVYYPAIITNN-DEMQSYJASA-N
XLogP0.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol (CID 88960491) is (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol is C=C/C=C(\C=C)C[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol?
The InChIKey is KNVGVYYPAIITNN-DEMQSYJASA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-5-9(4-2)6-10-7-13-8-11(14)12(10)15/h3-5,10-15H,1-2,6-8H2/b9-5+/t10-,11+,12+/m0/s1.
What are the key properties of (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol?
(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol has a molecular weight of 209.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol is sourced from PubChem (CID 88960491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).