4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol

C17H19N5O — CID 166306574

IUPAC4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol
SMILESOc1ccc2c(N3CCCC(Cn4ccnn4)C3)ccnc2c1
InChIInChI=1S/C17H19N5O/c23-14-3-4-15-16(10-14)18-6-5-17(15)21-8-1-2-13(11-21)12-22-9-7-19-20-22/h3-7,9-10,13,23H,1-2,8,11-12H2
InChIKeyINRKQUXNXGFTOK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.45
Rot. Bonds3

About 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol

4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol (PubChem CID 166306574) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol
PubChem CID166306574
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol
SMILESOc1ccc2c(N3CCCC(Cn4ccnn4)C3)ccnc2c1
InChIInChI=1S/C17H19N5O/c23-14-3-4-15-16(10-14)18-6-5-17(15)21-8-1-2-13(11-21)12-22-9-7-19-20-22/h3-7,9-10,13,23H,1-2,8,11-12H2
InChIKeyINRKQUXNXGFTOK-UHFFFAOYSA-N
XLogP2.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol?
The IUPAC name of 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol (CID 166306574) is 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol.
What is the SMILES notation for 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol?
The canonical SMILES for 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol is Oc1ccc2c(N3CCCC(Cn4ccnn4)C3)ccnc2c1.
What is the InChIKey of 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol?
The InChIKey is INRKQUXNXGFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-14-3-4-15-16(10-14)18-6-5-17(15)21-8-1-2-13(11-21)12-22-9-7-19-20-22/h3-7,9-10,13,23H,1-2,8,11-12H2.
What are the key properties of 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol?
4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol has a molecular weight of 309.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(triazol-1-ylmethyl)piperidin-1-yl]quinolin-7-ol is sourced from PubChem (CID 166306574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).