1-[(E)-oct-3-enyl]piperidine

C13H25N — CID 13115118

IUPAC1-[(E)-oct-3-enyl]piperidine
SMILESCCCC/C=C/CCN1CCCCC1
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-6H,2-4,7-13H2,1H3/b6-5+
InChIKeyZCXXGQOPFRKLQE-AATRIKPKSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds6

About 1-[(E)-oct-3-enyl]piperidine

1-[(E)-oct-3-enyl]piperidine (PubChem CID 13115118) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[(E)-oct-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-oct-3-enyl]piperidine
PubChem CID13115118
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[(E)-oct-3-enyl]piperidine
SMILESCCCC/C=C/CCN1CCCCC1
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-6H,2-4,7-13H2,1H3/b6-5+
InChIKeyZCXXGQOPFRKLQE-AATRIKPKSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-oct-3-enyl]piperidine?
The IUPAC name of 1-[(E)-oct-3-enyl]piperidine (CID 13115118) is 1-[(E)-oct-3-enyl]piperidine.
What is the SMILES notation for 1-[(E)-oct-3-enyl]piperidine?
The canonical SMILES for 1-[(E)-oct-3-enyl]piperidine is CCCC/C=C/CCN1CCCCC1.
What is the InChIKey of 1-[(E)-oct-3-enyl]piperidine?
The InChIKey is ZCXXGQOPFRKLQE-AATRIKPKSA-N. The full InChI is InChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h5-6H,2-4,7-13H2,1H3/b6-5+.
What are the key properties of 1-[(E)-oct-3-enyl]piperidine?
1-[(E)-oct-3-enyl]piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-oct-3-enyl]piperidine is sourced from PubChem (CID 13115118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).