1-[(E)-4-ethylhex-1-enyl]piperidine

C13H25N — CID 89286652

IUPAC1-[(E)-4-ethylhex-1-enyl]piperidine
SMILESCCC(CC)C/C=C/N1CCCCC1
InChIInChI=1S/C13H25N/c1-3-13(4-2)9-8-12-14-10-6-5-7-11-14/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyFPVZFWJYWURCOO-XYOKQWHBSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds5

About 1-[(E)-4-ethylhex-1-enyl]piperidine

1-[(E)-4-ethylhex-1-enyl]piperidine (PubChem CID 89286652) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[(E)-4-ethylhex-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-ethylhex-1-enyl]piperidine
PubChem CID89286652
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[(E)-4-ethylhex-1-enyl]piperidine
SMILESCCC(CC)C/C=C/N1CCCCC1
InChIInChI=1S/C13H25N/c1-3-13(4-2)9-8-12-14-10-6-5-7-11-14/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyFPVZFWJYWURCOO-XYOKQWHBSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-ethylhex-1-enyl]piperidine?
The IUPAC name of 1-[(E)-4-ethylhex-1-enyl]piperidine (CID 89286652) is 1-[(E)-4-ethylhex-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4-ethylhex-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-4-ethylhex-1-enyl]piperidine is CCC(CC)C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-4-ethylhex-1-enyl]piperidine?
The InChIKey is FPVZFWJYWURCOO-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H25N/c1-3-13(4-2)9-8-12-14-10-6-5-7-11-14/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+.
What are the key properties of 1-[(E)-4-ethylhex-1-enyl]piperidine?
1-[(E)-4-ethylhex-1-enyl]piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-ethylhex-1-enyl]piperidine is sourced from PubChem (CID 89286652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).