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

C20H23N5 — CID 10359487

IUPAC2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C20H23N5/c1-16-22-23-20(25(16)15-17-7-3-2-4-8-17)18-10-13-24(14-11-18)19-9-5-6-12-21-19/h2-9,12,18H,10-11,13-15H2,1H3
InChIKeyFZXACOHIPGHLNI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.41
Rot. Bonds4

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

2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (PubChem CID 10359487) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
PubChem CID10359487
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
SMILESCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C20H23N5/c1-16-22-23-20(25(16)15-17-7-3-2-4-8-17)18-10-13-24(14-11-18)19-9-5-6-12-21-19/h2-9,12,18H,10-11,13-15H2,1H3
InChIKeyFZXACOHIPGHLNI-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine (CID 10359487) is 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1.
What is the InChIKey of 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
The InChIKey is FZXACOHIPGHLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16-22-23-20(25(16)15-17-7-3-2-4-8-17)18-10-13-24(14-11-18)19-9-5-6-12-21-19/h2-9,12,18H,10-11,13-15H2,1H3.
What are the key properties of 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine?
2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine has a molecular weight of 333.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 10359487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).