4-but-2-en-2-yloxy-1-methylpiperidine

C10H19NO — CID 123558534

IUPAC4-but-2-en-2-yloxy-1-methylpiperidine
SMILESCC=C(C)OC1CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4,10H,5-8H2,1-3H3
InChIKeyVKIJWZFEWAZLLY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds2

About 4-but-2-en-2-yloxy-1-methylpiperidine

4-but-2-en-2-yloxy-1-methylpiperidine (PubChem CID 123558534) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-but-2-en-2-yloxy-1-methylpiperidine.

Molecular Properties

Compound Name4-but-2-en-2-yloxy-1-methylpiperidine
PubChem CID123558534
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-but-2-en-2-yloxy-1-methylpiperidine
SMILESCC=C(C)OC1CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4,10H,5-8H2,1-3H3
InChIKeyVKIJWZFEWAZLLY-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
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-but-2-en-2-yloxy-1-methylpiperidine?
The IUPAC name of 4-but-2-en-2-yloxy-1-methylpiperidine (CID 123558534) is 4-but-2-en-2-yloxy-1-methylpiperidine.
What is the SMILES notation for 4-but-2-en-2-yloxy-1-methylpiperidine?
The canonical SMILES for 4-but-2-en-2-yloxy-1-methylpiperidine is CC=C(C)OC1CCN(C)CC1.
What is the InChIKey of 4-but-2-en-2-yloxy-1-methylpiperidine?
The InChIKey is VKIJWZFEWAZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4,10H,5-8H2,1-3H3.
What are the key properties of 4-but-2-en-2-yloxy-1-methylpiperidine?
4-but-2-en-2-yloxy-1-methylpiperidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yloxy-1-methylpiperidine is sourced from PubChem (CID 123558534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).