1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine

C14H27NO — CID 59434644

IUPAC1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
SMILESCC(C)C/C=C/COCCN1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-7-12-16-13-11-15-9-5-3-6-10-15/h4,7,14H,3,5-6,8-13H2,1-2H3/b7-4+
InChIKeyOKMMSSMMKDGVSO-QPJJXVBHSA-N
MW225.38 g/mol
LogP3.09
Rot. Bonds7

About 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine

1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine (PubChem CID 59434644) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
PubChem CID59434644
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
SMILESCC(C)C/C=C/COCCN1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-7-12-16-13-11-15-9-5-3-6-10-15/h4,7,14H,3,5-6,8-13H2,1-2H3/b7-4+
InChIKeyOKMMSSMMKDGVSO-QPJJXVBHSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
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

1-[(E)-5-methylhex-2-enyl]piperidine
CID 59434725
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
1-[2-(fluoromethoxy)ethyl]piperidine
CID 144926312
1-[2-(1-iodoethoxy)ethyl]piperidine
CID 134214005
1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine
CID 147408138
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
1-(2-methoxyethyl)azocane
CID 47014834
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
1-[2-(2-methylpentoxy)ethyl]pyrrolidine
CID 138738452
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine (CID 59434644) is 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine is CC(C)C/C=C/COCCN1CCCCC1.
What is the InChIKey of 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine?
The InChIKey is OKMMSSMMKDGVSO-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)8-4-7-12-16-13-11-15-9-5-3-6-10-15/h4,7,14H,3,5-6,8-13H2,1-2H3/b7-4+.
What are the key properties of 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine?
1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine has a molecular weight of 225.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine is sourced from PubChem (CID 59434644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).