4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol

C13H23NO2 — CID 143402027

IUPAC4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OCC)CCNCC1O
InChIInChI=1S/C13H23NO2/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15/h4,6-7,12,14-15H,5,8-10H2,1-3H3/b6-4-,11-7+
InChIKeyQHZMCPCUTPQQCK-WXVRQDIQSA-N
MW225.33 g/mol
LogP1.64
Rot. Bonds4

About 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol

4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol (PubChem CID 143402027) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
PubChem CID143402027
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OCC)CCNCC1O
InChIInChI=1S/C13H23NO2/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15/h4,6-7,12,14-15H,5,8-10H2,1-3H3/b6-4-,11-7+
InChIKeyQHZMCPCUTPQQCK-WXVRQDIQSA-N
XLogP1.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
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 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The IUPAC name of 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol (CID 143402027) is 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol.
What is the SMILES notation for 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The canonical SMILES for 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol is C/C=C\C=C(/C)C1(OCC)CCNCC1O.
What is the InChIKey of 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The InChIKey is QHZMCPCUTPQQCK-WXVRQDIQSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15/h4,6-7,12,14-15H,5,8-10H2,1-3H3/b6-4-,11-7+.
What are the key properties of 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol is sourced from PubChem (CID 143402027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).