4-[(E)-oct-3-enoxy]piperidine

C13H25NO — CID 142825092

IUPAC4-[(E)-oct-3-enoxy]piperidine
SMILESCCCC/C=C/CCOC1CCNCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h5-6,13-14H,2-4,7-12H2,1H3/b6-5+
InChIKeyIMORPPBUPFZETR-AATRIKPKSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About 4-[(E)-oct-3-enoxy]piperidine

4-[(E)-oct-3-enoxy]piperidine (PubChem CID 142825092) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(E)-oct-3-enoxy]piperidine.

Molecular Properties

Compound Name4-[(E)-oct-3-enoxy]piperidine
PubChem CID142825092
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(E)-oct-3-enoxy]piperidine
SMILESCCCC/C=C/CCOC1CCNCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h5-6,13-14H,2-4,7-12H2,1H3/b6-5+
InChIKeyIMORPPBUPFZETR-AATRIKPKSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-5-fluorohept-2-en-2-yl]oxypiperidine
CID 68083443
4-But-3-enoxypiperidine
CID 18337193
4-(Pent-4-en-1-yloxy)piperidine
CID 53409914
2-But-2-enylmorpholine
CID 54499385
2-Hept-2-enylmorpholine
CID 68588235
2-Pent-2-enylmorpholine
CID 68589738
2-Hex-2-enylmorpholine
CID 68590106
2-[(E)-but-2-enyl]morpholine
CID 87508580
2-Hexa-1,4-dien-3-ylmorpholine
CID 123162376
(2R)-2-[(E)-pent-3-enyl]morpholine
CID 130456713
4-Cyclohexa-2,4-dien-1-yloxypiperidine
CID 139334582
4-[(4Z)-4-ethenylhepta-4,6-dienoxy]piperidine
CID 142824770

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-oct-3-enoxy]piperidine?
The IUPAC name of 4-[(E)-oct-3-enoxy]piperidine (CID 142825092) is 4-[(E)-oct-3-enoxy]piperidine.
What is the SMILES notation for 4-[(E)-oct-3-enoxy]piperidine?
The canonical SMILES for 4-[(E)-oct-3-enoxy]piperidine is CCCC/C=C/CCOC1CCNCC1.
What is the InChIKey of 4-[(E)-oct-3-enoxy]piperidine?
The InChIKey is IMORPPBUPFZETR-AATRIKPKSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-7-12-15-13-8-10-14-11-9-13/h5-6,13-14H,2-4,7-12H2,1H3/b6-5+.
What are the key properties of 4-[(E)-oct-3-enoxy]piperidine?
4-[(E)-oct-3-enoxy]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-oct-3-enoxy]piperidine is sourced from PubChem (CID 142825092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).