4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine

C13H21NO — CID 139334640

IUPAC4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine
SMILESC/C=C\C=C(/C=C\C)OC1CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-7-12(6-4-2)15-13-8-10-14-11-9-13/h3-7,13-14H,8-11H2,1-2H3/b5-3-,6-4-,12-7+
InChIKeyKJCHBZXATBRRSH-WFYFVCBASA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds4

About 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine

4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine (PubChem CID 139334640) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine
PubChem CID139334640
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine
SMILESC/C=C\C=C(/C=C\C)OC1CCNCC1
InChIInChI=1S/C13H21NO/c1-3-5-7-12(6-4-2)15-13-8-10-14-11-9-13/h3-7,13-14H,8-11H2,1-2H3/b5-3-,6-4-,12-7+
InChIKeyKJCHBZXATBRRSH-WFYFVCBASA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine?
The IUPAC name of 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine (CID 139334640) is 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine.
What is the SMILES notation for 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine?
The canonical SMILES for 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine is C/C=C\C=C(/C=C\C)OC1CCNCC1.
What is the InChIKey of 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine?
The InChIKey is KJCHBZXATBRRSH-WFYFVCBASA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-7-12(6-4-2)15-13-8-10-14-11-9-13/h3-7,13-14H,8-11H2,1-2H3/b5-3-,6-4-,12-7+.
What are the key properties of 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine?
4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxypiperidine is sourced from PubChem (CID 139334640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).