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

C11H17NO — CID 142009501

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C=C(\C=C)OC1CCNCC1
InChIInChI=1S/C11H17NO/c1-3-5-10(4-2)13-11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2/b10-5+
InChIKeyXXHNBXGHTUELJA-BJMVGYQFSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds4

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

4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine (PubChem CID 142009501) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
PubChem CID142009501
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine
SMILESC=C/C=C(\C=C)OC1CCNCC1
InChIInChI=1S/C11H17NO/c1-3-5-10(4-2)13-11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2/b10-5+
InChIKeyXXHNBXGHTUELJA-BJMVGYQFSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
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)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine (CID 142009501) is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine is C=C/C=C(\C=C)OC1CCNCC1.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
The InChIKey is XXHNBXGHTUELJA-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-10(4-2)13-11-6-8-12-9-7-11/h3-5,11-12H,1-2,6-9H2/b10-5+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine?
4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine has a molecular weight of 179.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidine is sourced from PubChem (CID 142009501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).