2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine

C19H24N2O — CID 95808921

IUPAC2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine
SMILESCOc1ccc(Cc2cccc(C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H24N2O/c1-21-12-10-16(11-13-21)19-5-3-4-17(20-19)14-15-6-8-18(22-2)9-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyZXTKWBKRWWLEIV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.49
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine

2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine (PubChem CID 95808921) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine
PubChem CID95808921
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine
SMILESCOc1ccc(Cc2cccc(C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H24N2O/c1-21-12-10-16(11-13-21)19-5-3-4-17(20-19)14-15-6-8-18(22-2)9-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyZXTKWBKRWWLEIV-UHFFFAOYSA-N
XLogP3.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine (CID 95808921) is 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine is COc1ccc(Cc2cccc(C3CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine?
The InChIKey is ZXTKWBKRWWLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21-12-10-16(11-13-21)19-5-3-4-17(20-19)14-15-6-8-18(22-2)9-7-15/h3-9,16H,10-14H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine?
2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-6-(1-methylpiperidin-4-yl)pyridine is sourced from PubChem (CID 95808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).