3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane

C14H22N2O — CID 104680701

IUPAC3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
SMILESCOc1cc(C)nc(CC2CCCCNC2)c1
InChIInChI=1S/C14H22N2O/c1-11-7-14(17-2)9-13(16-11)8-12-5-3-4-6-15-10-12/h7,9,12,15H,3-6,8,10H2,1-2H3
InChIKeyFFYMVNJNIDETKQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds3

About 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane

3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane (PubChem CID 104680701) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane.

Molecular Properties

Compound Name3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
PubChem CID104680701
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane
SMILESCOc1cc(C)nc(CC2CCCCNC2)c1
InChIInChI=1S/C14H22N2O/c1-11-7-14(17-2)9-13(16-11)8-12-5-3-4-6-15-10-12/h7,9,12,15H,3-6,8,10H2,1-2H3
InChIKeyFFYMVNJNIDETKQ-UHFFFAOYSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 82893031
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
CID 83484491
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
6-methoxy-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117130028
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane?
The IUPAC name of 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane (CID 104680701) is 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane.
What is the SMILES notation for 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane?
The canonical SMILES for 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane is COc1cc(C)nc(CC2CCCCNC2)c1.
What is the InChIKey of 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane?
The InChIKey is FFYMVNJNIDETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-14(17-2)9-13(16-11)8-12-5-3-4-6-15-10-12/h7,9,12,15H,3-6,8,10H2,1-2H3.
What are the key properties of 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane?
3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane has a molecular weight of 234.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methyl-2-pyridinyl)methyl]azepane is sourced from PubChem (CID 104680701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).