3-tert-butyl-5-ethenylpiperidine

C11H21N — CID 155121651

IUPAC3-tert-butyl-5-ethenylpiperidine
SMILESC=CC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-5-9-6-10(8-12-7-9)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyMXOOVXIKLIDKKE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.44
Rot. Bonds1

About 3-tert-butyl-5-ethenylpiperidine

3-tert-butyl-5-ethenylpiperidine (PubChem CID 155121651) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-tert-butyl-5-ethenylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-5-ethenylpiperidine
PubChem CID155121651
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-tert-butyl-5-ethenylpiperidine
SMILESC=CC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-5-9-6-10(8-12-7-9)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyMXOOVXIKLIDKKE-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethenylpiperidine?
The IUPAC name of 3-tert-butyl-5-ethenylpiperidine (CID 155121651) is 3-tert-butyl-5-ethenylpiperidine.
What is the SMILES notation for 3-tert-butyl-5-ethenylpiperidine?
The canonical SMILES for 3-tert-butyl-5-ethenylpiperidine is C=CC1CNCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-ethenylpiperidine?
The InChIKey is MXOOVXIKLIDKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9-6-10(8-12-7-9)11(2,3)4/h5,9-10,12H,1,6-8H2,2-4H3.
What are the key properties of 3-tert-butyl-5-ethenylpiperidine?
3-tert-butyl-5-ethenylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethenylpiperidine is sourced from PubChem (CID 155121651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).