1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine

C15H27NO — CID 118058189

IUPAC1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
SMILESC=C(/C=C(\C)OCC)CCCN1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-17-15(3)13-14(2)9-8-12-16-10-6-5-7-11-16/h13H,2,4-12H2,1,3H3/b15-13+
InChIKeyWBWHHZFBJKHDGG-FYWRMAATSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds7

About 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine (PubChem CID 118058189) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
PubChem CID118058189
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
SMILESC=C(/C=C(\C)OCC)CCCN1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-17-15(3)13-14(2)9-8-12-16-10-6-5-7-11-16/h13H,2,4-12H2,1,3H3/b15-13+
InChIKeyWBWHHZFBJKHDGG-FYWRMAATSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine?
The IUPAC name of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine (CID 118058189) is 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine.
What is the SMILES notation for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine?
The canonical SMILES for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine is C=C(/C=C(\C)OCC)CCCN1CCCCC1.
What is the InChIKey of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine?
The InChIKey is WBWHHZFBJKHDGG-FYWRMAATSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-17-15(3)13-14(2)9-8-12-16-10-6-5-7-11-16/h13H,2,4-12H2,1,3H3/b15-13+.
What are the key properties of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine?
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine is sourced from PubChem (CID 118058189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).