1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol

C18H19FN4O — CID 167770616

IUPAC1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol
SMILESCn1nccc1C1(O)CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C18H19FN4O/c1-22-16(6-9-20-22)18(24)7-10-23(11-8-18)17-5-2-13-12-14(19)3-4-15(13)21-17/h2-6,9,12,24H,7-8,10-11H2,1H3
InChIKeyIOIPWQWFHSWYNR-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.60
Rot. Bonds2

About 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol

1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol (PubChem CID 167770616) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol
PubChem CID167770616
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol
SMILESCn1nccc1C1(O)CCN(c2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C18H19FN4O/c1-22-16(6-9-20-22)18(24)7-10-23(11-8-18)17-5-2-13-12-14(19)3-4-15(13)21-17/h2-6,9,12,24H,7-8,10-11H2,1H3
InChIKeyIOIPWQWFHSWYNR-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol?
The IUPAC name of 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol (CID 167770616) is 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol is Cn1nccc1C1(O)CCN(c2ccc3cc(F)ccc3n2)CC1.
What is the InChIKey of 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol?
The InChIKey is IOIPWQWFHSWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-22-16(6-9-20-22)18(24)7-10-23(11-8-18)17-5-2-13-12-14(19)3-4-15(13)21-17/h2-6,9,12,24H,7-8,10-11H2,1H3.
What are the key properties of 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol?
1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol has a molecular weight of 326.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-2-yl)-4-(2-methylpyrazol-3-yl)piperidin-4-ol is sourced from PubChem (CID 167770616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).