2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine

C18H19N5 — CID 174616715

IUPAC2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
SMILESc1ccc(-c2cn(C3CCN(c4ccccn4)CC3)nn2)cc1
InChIInChI=1S/C18H19N5/c1-2-6-15(7-3-1)17-14-23(21-20-17)16-9-12-22(13-10-16)18-8-4-5-11-19-18/h1-8,11,14,16H,9-10,12-13H2
InChIKeyIVNGKGFPGFNQSN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.18
Rot. Bonds3

About 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine

2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine (PubChem CID 174616715) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
PubChem CID174616715
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
SMILESc1ccc(-c2cn(C3CCN(c4ccccn4)CC3)nn2)cc1
InChIInChI=1S/C18H19N5/c1-2-6-15(7-3-1)17-14-23(21-20-17)16-9-12-22(13-10-16)18-8-4-5-11-19-18/h1-8,11,14,16H,9-10,12-13H2
InChIKeyIVNGKGFPGFNQSN-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine (CID 174616715) is 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine is c1ccc(-c2cn(C3CCN(c4ccccn4)CC3)nn2)cc1.
What is the InChIKey of 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine?
The InChIKey is IVNGKGFPGFNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-6-15(7-3-1)17-14-23(21-20-17)16-9-12-22(13-10-16)18-8-4-5-11-19-18/h1-8,11,14,16H,9-10,12-13H2.
What are the key properties of 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine?
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine is sourced from PubChem (CID 174616715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).