2-(3-methylbut-2-enoxymethyl)piperidine

C11H21NO — CID 62339396

IUPAC2-(3-methylbut-2-enoxymethyl)piperidine
SMILESCC(C)=CCOCC1CCCCN1
InChIInChI=1S/C11H21NO/c1-10(2)6-8-13-9-11-5-3-4-7-12-11/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyUBWQBAGWLLDGGS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methylbut-2-enoxymethyl)piperidine

2-(3-methylbut-2-enoxymethyl)piperidine (PubChem CID 62339396) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxymethyl)piperidine
PubChem CID62339396
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3-methylbut-2-enoxymethyl)piperidine
SMILESCC(C)=CCOCC1CCCCN1
InChIInChI=1S/C11H21NO/c1-10(2)6-8-13-9-11-5-3-4-7-12-11/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeyUBWQBAGWLLDGGS-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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-(3-methylbut-2-enoxymethyl)piperidine?
The IUPAC name of 2-(3-methylbut-2-enoxymethyl)piperidine (CID 62339396) is 2-(3-methylbut-2-enoxymethyl)piperidine.
What is the SMILES notation for 2-(3-methylbut-2-enoxymethyl)piperidine?
The canonical SMILES for 2-(3-methylbut-2-enoxymethyl)piperidine is CC(C)=CCOCC1CCCCN1.
What is the InChIKey of 2-(3-methylbut-2-enoxymethyl)piperidine?
The InChIKey is UBWQBAGWLLDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)6-8-13-9-11-5-3-4-7-12-11/h6,11-12H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxymethyl)piperidine?
2-(3-methylbut-2-enoxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxymethyl)piperidine is sourced from PubChem (CID 62339396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).