3-(1-ethoxyethenyl)piperidine

C9H17NO — CID 89033604

IUPAC3-(1-ethoxyethenyl)piperidine
SMILESC=C(OCC)C1CCCNC1
InChIInChI=1S/C9H17NO/c1-3-11-8(2)9-5-4-6-10-7-9/h9-10H,2-7H2,1H3
InChIKeyWGHBXHBWQODRNP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.54
Rot. Bonds3

About 3-(1-ethoxyethenyl)piperidine

3-(1-ethoxyethenyl)piperidine (PubChem CID 89033604) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)piperidine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)piperidine
PubChem CID89033604
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(1-ethoxyethenyl)piperidine
SMILESC=C(OCC)C1CCCNC1
InChIInChI=1S/C9H17NO/c1-3-11-8(2)9-5-4-6-10-7-9/h9-10H,2-7H2,1H3
InChIKeyWGHBXHBWQODRNP-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
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 3-(1-ethoxyethenyl)piperidine?
The IUPAC name of 3-(1-ethoxyethenyl)piperidine (CID 89033604) is 3-(1-ethoxyethenyl)piperidine.
What is the SMILES notation for 3-(1-ethoxyethenyl)piperidine?
The canonical SMILES for 3-(1-ethoxyethenyl)piperidine is C=C(OCC)C1CCCNC1.
What is the InChIKey of 3-(1-ethoxyethenyl)piperidine?
The InChIKey is WGHBXHBWQODRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-11-8(2)9-5-4-6-10-7-9/h9-10H,2-7H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)piperidine?
3-(1-ethoxyethenyl)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)piperidine is sourced from PubChem (CID 89033604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).