4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol

C15H25NO2 — CID 143402006

IUPAC4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol
SMILESC=C/C(=C\C=C/C)CC1(OCC)CCNCC1O
InChIInChI=1S/C15H25NO2/c1-4-7-8-13(5-2)11-15(18-6-3)9-10-16-12-14(15)17/h4-5,7-8,14,16-17H,2,6,9-12H2,1,3H3/b7-4-,13-8+
InChIKeyZMXONRQROGKASG-PZADHXCOSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds6

About 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol

4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol (PubChem CID 143402006) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol.

Molecular Properties

Compound Name4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol
PubChem CID143402006
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol
SMILESC=C/C(=C\C=C/C)CC1(OCC)CCNCC1O
InChIInChI=1S/C15H25NO2/c1-4-7-8-13(5-2)11-15(18-6-3)9-10-16-12-14(15)17/h4-5,7-8,14,16-17H,2,6,9-12H2,1,3H3/b7-4-,13-8+
InChIKeyZMXONRQROGKASG-PZADHXCOSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
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-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol?
The IUPAC name of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol (CID 143402006) is 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol.
What is the SMILES notation for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol?
The canonical SMILES for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol is C=C/C(=C\C=C/C)CC1(OCC)CCNCC1O.
What is the InChIKey of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol?
The InChIKey is ZMXONRQROGKASG-PZADHXCOSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-7-8-13(5-2)11-15(18-6-3)9-10-16-12-14(15)17/h4-5,7-8,14,16-17H,2,6,9-12H2,1,3H3/b7-4-,13-8+.
What are the key properties of 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol?
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol is sourced from PubChem (CID 143402006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).