4-[(E)-2-methoxyethenyl]-1-methylpiperidine

C9H17NO — CID 165125299

IUPAC4-[(E)-2-methoxyethenyl]-1-methylpiperidine
SMILESCO/C=C/C1CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-10-6-3-9(4-7-10)5-8-11-2/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyLWDDSXFYZPWYNK-VMPITWQZSA-N
MW155.24 g/mol
LogP1.49
Rot. Bonds2

About 4-[(E)-2-methoxyethenyl]-1-methylpiperidine

4-[(E)-2-methoxyethenyl]-1-methylpiperidine (PubChem CID 165125299) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[(E)-2-methoxyethenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(E)-2-methoxyethenyl]-1-methylpiperidine
PubChem CID165125299
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[(E)-2-methoxyethenyl]-1-methylpiperidine
SMILESCO/C=C/C1CCN(C)CC1
InChIInChI=1S/C9H17NO/c1-10-6-3-9(4-7-10)5-8-11-2/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyLWDDSXFYZPWYNK-VMPITWQZSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methoxyethenyl]-1-methylpiperidine?
The IUPAC name of 4-[(E)-2-methoxyethenyl]-1-methylpiperidine (CID 165125299) is 4-[(E)-2-methoxyethenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(E)-2-methoxyethenyl]-1-methylpiperidine?
The canonical SMILES for 4-[(E)-2-methoxyethenyl]-1-methylpiperidine is CO/C=C/C1CCN(C)CC1.
What is the InChIKey of 4-[(E)-2-methoxyethenyl]-1-methylpiperidine?
The InChIKey is LWDDSXFYZPWYNK-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-3-9(4-7-10)5-8-11-2/h5,8-9H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of 4-[(E)-2-methoxyethenyl]-1-methylpiperidine?
4-[(E)-2-methoxyethenyl]-1-methylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methoxyethenyl]-1-methylpiperidine is sourced from PubChem (CID 165125299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).