4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine

C10H19NO — CID 167284032

IUPAC4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine
SMILESCOC1=NCCC(C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)8-5-6-11-9(7-8)12-4/h8H,5-7H2,1-4H3
InChIKeyYYKSSJUCMAYTFL-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.49
Rot. Bonds

About 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine

4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine (PubChem CID 167284032) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine
PubChem CID167284032
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine
SMILESCOC1=NCCC(C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)8-5-6-11-9(7-8)12-4/h8H,5-7H2,1-4H3
InChIKeyYYKSSJUCMAYTFL-UHFFFAOYSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine (CID 167284032) is 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine is COC1=NCCC(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine?
The InChIKey is YYKSSJUCMAYTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)8-5-6-11-9(7-8)12-4/h8H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine?
4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxy-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 167284032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).