3-[2-(3-methylbut-2-enoxy)ethyl]piperidine

C12H23NO — CID 62356486

IUPAC3-[2-(3-methylbut-2-enoxy)ethyl]piperidine
SMILESCC(C)=CCOCCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeyOSJNXDVKLUORPM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine

3-[2-(3-methylbut-2-enoxy)ethyl]piperidine (PubChem CID 62356486) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-methylbut-2-enoxy)ethyl]piperidine
PubChem CID62356486
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[2-(3-methylbut-2-enoxy)ethyl]piperidine
SMILESCC(C)=CCOCCC1CCCNC1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeyOSJNXDVKLUORPM-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine (CID 62356486) is 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine is CC(C)=CCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine?
The InChIKey is OSJNXDVKLUORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h5,12-13H,3-4,6-10H2,1-2H3.
What are the key properties of 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine?
3-[2-(3-methylbut-2-enoxy)ethyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbut-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 62356486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).