1-tert-butyl-3-ethenylpiperidine

C11H21N — CID 11084269

IUPAC1-tert-butyl-3-ethenylpiperidine
SMILESC=CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-5-10-7-6-8-12(9-10)11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyXKBABHPVGFSZDB-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds1

About 1-tert-butyl-3-ethenylpiperidine

1-tert-butyl-3-ethenylpiperidine (PubChem CID 11084269) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-tert-butyl-3-ethenylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethenylpiperidine
PubChem CID11084269
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-tert-butyl-3-ethenylpiperidine
SMILESC=CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H21N/c1-5-10-7-6-8-12(9-10)11(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKeyXKBABHPVGFSZDB-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-ethenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethenylpiperidine?
The IUPAC name of 1-tert-butyl-3-ethenylpiperidine (CID 11084269) is 1-tert-butyl-3-ethenylpiperidine.
What is the SMILES notation for 1-tert-butyl-3-ethenylpiperidine?
The canonical SMILES for 1-tert-butyl-3-ethenylpiperidine is C=CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-ethenylpiperidine?
The InChIKey is XKBABHPVGFSZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-10-7-6-8-12(9-10)11(2,3)4/h5,10H,1,6-9H2,2-4H3.
What are the key properties of 1-tert-butyl-3-ethenylpiperidine?
1-tert-butyl-3-ethenylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethenylpiperidine is sourced from PubChem (CID 11084269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).