4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine

C12H19NO — CID 155432635

IUPAC4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2CC(C)=CCN2)OCC1
InChIInChI=1S/C12H19NO/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3,8,11-13H,4-7H2,1-2H3
InChIKeyFEPMMZPBGGMBME-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds1

About 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine

4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 155432635) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
PubChem CID155432635
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C2CC(C)=CCN2)OCC1
InChIInChI=1S/C12H19NO/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3,8,11-13H,4-7H2,1-2H3
InChIKeyFEPMMZPBGGMBME-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine (CID 155432635) is 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine is CC1=CC(C2CC(C)=CCN2)OCC1.
What is the InChIKey of 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FEPMMZPBGGMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3,8,11-13H,4-7H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine?
4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 193.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 155432635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).