1-[(E)-2-ethylhex-1-enyl]piperidine

C13H25N — CID 90470845

IUPAC1-[(E)-2-ethylhex-1-enyl]piperidine
SMILESCCCC/C(=C/N1CCCCC1)CC
InChIInChI=1S/C13H25N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14/h12H,3-11H2,1-2H3/b13-12+
InChIKeyYFPBPWNEJXCYMK-OUKQBFOZSA-N
MW195.35 g/mol
LogP3.96
Rot. Bonds5

About 1-[(E)-2-ethylhex-1-enyl]piperidine

1-[(E)-2-ethylhex-1-enyl]piperidine (PubChem CID 90470845) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[(E)-2-ethylhex-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-ethylhex-1-enyl]piperidine
PubChem CID90470845
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[(E)-2-ethylhex-1-enyl]piperidine
SMILESCCCC/C(=C/N1CCCCC1)CC
InChIInChI=1S/C13H25N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14/h12H,3-11H2,1-2H3/b13-12+
InChIKeyYFPBPWNEJXCYMK-OUKQBFOZSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-ethylnon-3-en-5-one
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N-(2-piperidin-1-ylethyl)pentanamide
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(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
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(Z)-4-ethyl-2-methylideneoct-3-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethylhex-1-enyl]piperidine?
The IUPAC name of 1-[(E)-2-ethylhex-1-enyl]piperidine (CID 90470845) is 1-[(E)-2-ethylhex-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-2-ethylhex-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-2-ethylhex-1-enyl]piperidine is CCCC/C(=C/N1CCCCC1)CC.
What is the InChIKey of 1-[(E)-2-ethylhex-1-enyl]piperidine?
The InChIKey is YFPBPWNEJXCYMK-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14/h12H,3-11H2,1-2H3/b13-12+.
What are the key properties of 1-[(E)-2-ethylhex-1-enyl]piperidine?
1-[(E)-2-ethylhex-1-enyl]piperidine has a molecular weight of 195.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethylhex-1-enyl]piperidine is sourced from PubChem (CID 90470845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).