4-ethenyl-2,3-dimethoxypiperidine

C9H17NO2 — CID 174671886

IUPAC4-ethenyl-2,3-dimethoxypiperidine
SMILESC=CC1CCNC(OC)C1OC
InChIInChI=1S/C9H17NO2/c1-4-7-5-6-10-9(12-3)8(7)11-2/h4,7-10H,1,5-6H2,2-3H3
InChIKeyGTLLZCYRROUXKZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds3

About 4-ethenyl-2,3-dimethoxypiperidine

4-ethenyl-2,3-dimethoxypiperidine (PubChem CID 174671886) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethenyl-2,3-dimethoxypiperidine.

Molecular Properties

Compound Name4-ethenyl-2,3-dimethoxypiperidine
PubChem CID174671886
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-ethenyl-2,3-dimethoxypiperidine
SMILESC=CC1CCNC(OC)C1OC
InChIInChI=1S/C9H17NO2/c1-4-7-5-6-10-9(12-3)8(7)11-2/h4,7-10H,1,5-6H2,2-3H3
InChIKeyGTLLZCYRROUXKZ-UHFFFAOYSA-N
XLogP0.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3-dimethoxypiperidine?
The IUPAC name of 4-ethenyl-2,3-dimethoxypiperidine (CID 174671886) is 4-ethenyl-2,3-dimethoxypiperidine.
What is the SMILES notation for 4-ethenyl-2,3-dimethoxypiperidine?
The canonical SMILES for 4-ethenyl-2,3-dimethoxypiperidine is C=CC1CCNC(OC)C1OC.
What is the InChIKey of 4-ethenyl-2,3-dimethoxypiperidine?
The InChIKey is GTLLZCYRROUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-5-6-10-9(12-3)8(7)11-2/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-2,3-dimethoxypiperidine?
4-ethenyl-2,3-dimethoxypiperidine has a molecular weight of 171.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3-dimethoxypiperidine is sourced from PubChem (CID 174671886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).