1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol

C16H16FN5O — CID 154756639

IUPAC1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]n2)CCCN(c2ccnc3c(F)cccc23)C1
InChIInChI=1S/C16H16FN5O/c17-12-4-1-3-11-13(5-7-18-15(11)12)22-8-2-6-16(23,10-22)14-9-19-21-20-14/h1,3-5,7,9,23H,2,6,8,10H2,(H,19,20,21)
InChIKeyGNWHWHNSCXMJSE-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.98
Rot. Bonds2

About 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol

1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 154756639) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID154756639
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESOC1(c2cn[nH]n2)CCCN(c2ccnc3c(F)cccc23)C1
InChIInChI=1S/C16H16FN5O/c17-12-4-1-3-11-13(5-7-18-15(11)12)22-8-2-6-16(23,10-22)14-9-19-21-20-14/h1,3-5,7,9,23H,2,6,8,10H2,(H,19,20,21)
InChIKeyGNWHWHNSCXMJSE-UHFFFAOYSA-N
XLogP1.98
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol (CID 154756639) is 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol is OC1(c2cn[nH]n2)CCCN(c2ccnc3c(F)cccc23)C1.
What is the InChIKey of 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is GNWHWHNSCXMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-12-4-1-3-11-13(5-7-18-15(11)12)22-8-2-6-16(23,10-22)14-9-19-21-20-14/h1,3-5,7,9,23H,2,6,8,10H2,(H,19,20,21).
What are the key properties of 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol?
1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 313.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 154756639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).