4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine

C12H21NO — CID 114404451

IUPAC4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6,12-13H,1-5,7-10H2
InChIKeyFJJYROBXCVULNF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

About 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine

4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404451) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404451
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6,12-13H,1-5,7-10H2
InChIKeyFJJYROBXCVULNF-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
(2E)-N-ethyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838944
(2E)-2-[(5-methyloxolan-2-yl)methylidene]-N-propylbutan-1-amine
CID 82838945
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992783
4-cyclohex-2-en-1-yloxy-N-propylcyclohexan-1-amine
CID 113608987
4-(Cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404453
4-(4-Methylpentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404455
4-[(4-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404461
4-[(2-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404462
4-[(2-Ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404466

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404451) is 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COC2CCCCC2)CCNC1.
What is the InChIKey of 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FJJYROBXCVULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11/h6,12-13H,1-5,7-10H2.
What are the key properties of 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).