2-(but-2-enoxymethyl)piperidine

C10H19NO — CID 76940428

IUPAC2-(but-2-enoxymethyl)piperidine
SMILESCC=CCOCC1CCCCN1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-10-6-4-5-7-11-10/h2-3,10-11H,4-9H2,1H3
InChIKeyUHMBUZOCIWYVBP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 2-(but-2-enoxymethyl)piperidine

2-(but-2-enoxymethyl)piperidine (PubChem CID 76940428) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(but-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name2-(but-2-enoxymethyl)piperidine
PubChem CID76940428
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(but-2-enoxymethyl)piperidine
SMILESCC=CCOCC1CCCCN1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-10-6-4-5-7-11-10/h2-3,10-11H,4-9H2,1H3
InChIKeyUHMBUZOCIWYVBP-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(but-2-enoxymethyl)piperidine?
The IUPAC name of 2-(but-2-enoxymethyl)piperidine (CID 76940428) is 2-(but-2-enoxymethyl)piperidine.
What is the SMILES notation for 2-(but-2-enoxymethyl)piperidine?
The canonical SMILES for 2-(but-2-enoxymethyl)piperidine is CC=CCOCC1CCCCN1.
What is the InChIKey of 2-(but-2-enoxymethyl)piperidine?
The InChIKey is UHMBUZOCIWYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-12-9-10-6-4-5-7-11-10/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 2-(but-2-enoxymethyl)piperidine?
2-(but-2-enoxymethyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-enoxymethyl)piperidine is sourced from PubChem (CID 76940428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).