2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C20H23N5O — CID 11337030

IUPAC2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyKAEOYJPYGWYJDV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 11337030) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID11337030
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyKAEOYJPYGWYJDV-UHFFFAOYSA-N
XLogP3.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 11337030) is 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is KAEOYJPYGWYJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 349.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 11337030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).