4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

C19H20FN3OS — CID 46967052

IUPAC4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)19(24)7-9-23(10-8-19)13-14-12-21-22-18(14)17-6-3-11-25-17/h1-6,11-12,24H,7-10,13H2,(H,21,22)
InChIKeyAJIFFJSPEJCBTJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.76
Rot. Bonds4

About 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (PubChem CID 46967052) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
PubChem CID46967052
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)19(24)7-9-23(10-8-19)13-14-12-21-22-18(14)17-6-3-11-25-17/h1-6,11-12,24H,7-10,13H2,(H,21,22)
InChIKeyAJIFFJSPEJCBTJ-UHFFFAOYSA-N
XLogP3.76
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (CID 46967052) is 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is AJIFFJSPEJCBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)19(24)7-9-23(10-8-19)13-14-12-21-22-18(14)17-6-3-11-25-17/h1-6,11-12,24H,7-10,13H2,(H,21,22).
What are the key properties of 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 357.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 46967052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).