2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine

C16H29N — CID 138474182

IUPAC2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine
SMILESC=C(C)CC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C16H29N/c1-13(2)12-15(14-8-4-3-5-9-14)16-10-6-7-11-17-16/h14-17H,1,3-12H2,2H3
InChIKeyVMOWFZKBJMPGQE-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds4

About 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine

2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine (PubChem CID 138474182) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine
PubChem CID138474182
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine
SMILESC=C(C)CC(C1CCCCC1)C1CCCCN1
InChIInChI=1S/C16H29N/c1-13(2)12-15(14-8-4-3-5-9-14)16-10-6-7-11-17-16/h14-17H,1,3-12H2,2H3
InChIKeyVMOWFZKBJMPGQE-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine 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 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine?
The IUPAC name of 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine (CID 138474182) is 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine.
What is the SMILES notation for 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine?
The canonical SMILES for 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine is C=C(C)CC(C1CCCCC1)C1CCCCN1.
What is the InChIKey of 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine?
The InChIKey is VMOWFZKBJMPGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13(2)12-15(14-8-4-3-5-9-14)16-10-6-7-11-17-16/h14-17H,1,3-12H2,2H3.
What are the key properties of 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine?
2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine has a molecular weight of 235.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-methylbut-3-enyl)piperidine is sourced from PubChem (CID 138474182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).