6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine

C12H19NO — CID 167023582

IUPAC6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine
SMILESCC1=CC(CC2CCOCC2)=CCN1
InChIInChI=1S/C12H19NO/c1-10-8-12(2-5-13-10)9-11-3-6-14-7-4-11/h2,8,11,13H,3-7,9H2,1H3
InChIKeyYXCXNDDQYWDHQE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds2

About 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine

6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine (PubChem CID 167023582) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine
PubChem CID167023582
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine
SMILESCC1=CC(CC2CCOCC2)=CCN1
InChIInChI=1S/C12H19NO/c1-10-8-12(2-5-13-10)9-11-3-6-14-7-4-11/h2,8,11,13H,3-7,9H2,1H3
InChIKeyYXCXNDDQYWDHQE-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine (CID 167023582) is 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine is CC1=CC(CC2CCOCC2)=CCN1.
What is the InChIKey of 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine?
The InChIKey is YXCXNDDQYWDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-8-12(2-5-13-10)9-11-3-6-14-7-4-11/h2,8,11,13H,3-7,9H2,1H3.
What are the key properties of 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine?
6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxan-4-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 167023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).