ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine

C13H25NO — CID 143443373

IUPACethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine
SMILESC/C=C\C(=C/C)OC1CCNCC1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-3-5-10(4-2)13-11-6-8-12-9-7-11;1-2/h3-5,11-12H,6-9H2,1-2H3;1-2H3/b5-3-,10-4+;
InChIKeyMEDYLKCVUHZDJK-BOWQZNNWSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds3

About ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine

ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine (PubChem CID 143443373) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine.

Molecular Properties

Compound Nameethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine
PubChem CID143443373
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine
SMILESC/C=C\C(=C/C)OC1CCNCC1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-3-5-10(4-2)13-11-6-8-12-9-7-11;1-2/h3-5,11-12H,6-9H2,1-2H3;1-2H3/b5-3-,10-4+;
InChIKeyMEDYLKCVUHZDJK-BOWQZNNWSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
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'}

Analyze ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine?
The IUPAC name of ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine (CID 143443373) is ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine.
What is the SMILES notation for ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine?
The canonical SMILES for ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine is C/C=C\C(=C/C)OC1CCNCC1.CC.
What is the InChIKey of ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine?
The InChIKey is MEDYLKCVUHZDJK-BOWQZNNWSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-3-5-10(4-2)13-11-6-8-12-9-7-11;1-2/h3-5,11-12H,6-9H2,1-2H3;1-2H3/b5-3-,10-4+;.
What are the key properties of ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine?
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine has a molecular weight of 211.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypiperidine is sourced from PubChem (CID 143443373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).