4-cyclohexyl-1,2,3,6-tetrahydropyridine

C11H19N — CID 83682461

IUPAC4-cyclohexyl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCCCC2)CCNC1
InChIInChI=1S/C11H19N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,10,12H,1-5,7-9H2
InChIKeyGNSLCMVHAGOVGB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.49
Rot. Bonds1

About 4-cyclohexyl-1,2,3,6-tetrahydropyridine

4-cyclohexyl-1,2,3,6-tetrahydropyridine (PubChem CID 83682461) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-cyclohexyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-cyclohexyl-1,2,3,6-tetrahydropyridine
PubChem CID83682461
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-cyclohexyl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCCCC2)CCNC1
InChIInChI=1S/C11H19N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,10,12H,1-5,7-9H2
InChIKeyGNSLCMVHAGOVGB-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.49
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 4-cyclohexyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-cyclohexyl-1,2,3,6-tetrahydropyridine (CID 83682461) is 4-cyclohexyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-cyclohexyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-cyclohexyl-1,2,3,6-tetrahydropyridine is C1=C(C2CCCCC2)CCNC1.
What is the InChIKey of 4-cyclohexyl-1,2,3,6-tetrahydropyridine?
The InChIKey is GNSLCMVHAGOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6,10,12H,1-5,7-9H2.
What are the key properties of 4-cyclohexyl-1,2,3,6-tetrahydropyridine?
4-cyclohexyl-1,2,3,6-tetrahydropyridine has a molecular weight of 165.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 83682461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).