5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine

C15H21N5O — CID 166312446

IUPAC5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine
SMILESCOc1ccc(-c2cn(CCN3CCCCC3)nn2)nc1
InChIInChI=1S/C15H21N5O/c1-21-13-5-6-14(16-11-13)15-12-20(18-17-15)10-9-19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyHPAGDDSLPRBHEL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.83
Rot. Bonds5

About 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine

5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine (PubChem CID 166312446) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine
PubChem CID166312446
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine
SMILESCOc1ccc(-c2cn(CCN3CCCCC3)nn2)nc1
InChIInChI=1S/C15H21N5O/c1-21-13-5-6-14(16-11-13)15-12-20(18-17-15)10-9-19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyHPAGDDSLPRBHEL-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine?
The IUPAC name of 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine (CID 166312446) is 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine?
The canonical SMILES for 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine is COc1ccc(-c2cn(CCN3CCCCC3)nn2)nc1.
What is the InChIKey of 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine?
The InChIKey is HPAGDDSLPRBHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-13-5-6-14(16-11-13)15-12-20(18-17-15)10-9-19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine?
5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine has a molecular weight of 287.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(2-piperidin-1-ylethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 166312446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).