4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine

C12H19NO — CID 88582834

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
SMILESC=C/C=C(\C=C/C)OC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(6-4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,1,7-10H2,2H3/b6-4-,11-5+
InChIKeyJDCAGACXWNUQDE-NQTKGXIKSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds4

About 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine (PubChem CID 88582834) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
PubChem CID88582834
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
SMILESC=C/C=C(\C=C/C)OC1CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(6-4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,1,7-10H2,2H3/b6-4-,11-5+
InChIKeyJDCAGACXWNUQDE-NQTKGXIKSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine (CID 88582834) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine is C=C/C=C(\C=C/C)OC1CCNCC1.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine?
The InChIKey is JDCAGACXWNUQDE-NQTKGXIKSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(6-4-2)14-12-7-9-13-10-8-12/h3-6,12-13H,1,7-10H2,2H3/b6-4-,11-5+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine?
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine is sourced from PubChem (CID 88582834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).