3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine

C18H20N2O — CID 115981883

IUPAC3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
SMILESCc1cccnc1COc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C18H20N2O/c1-14-3-2-10-20-18(14)13-21-17-6-4-15(5-7-17)16-8-11-19-12-9-16/h2-8,10,19H,9,11-13H2,1H3
InChIKeyOZSWIHFTBRHKAJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds4

About 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine

3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine (PubChem CID 115981883) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
PubChem CID115981883
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
SMILESCc1cccnc1COc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C18H20N2O/c1-14-3-2-10-20-18(14)13-21-17-6-4-15(5-7-17)16-8-11-19-12-9-16/h2-8,10,19H,9,11-13H2,1H3
InChIKeyOZSWIHFTBRHKAJ-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026425
4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
CID 82865684
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
4-[(3-methyl-2-pyridinyl)methoxy]-1H-pyridin-2-one
CID 152538105
1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
CID 115982424
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 61488440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine?
The IUPAC name of 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine (CID 115981883) is 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine is Cc1cccnc1COc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine?
The InChIKey is OZSWIHFTBRHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-3-2-10-20-18(14)13-21-17-6-4-15(5-7-17)16-8-11-19-12-9-16/h2-8,10,19H,9,11-13H2,1H3.
What are the key properties of 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine?
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine has a molecular weight of 280.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 115981883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).