4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol

C19H18FN5O — CID 155263855

IUPAC4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2cncc(-c3cncnc3)n2)CC1
InChIInChI=1S/C19H18FN5O/c20-16-3-1-15(2-4-16)19(26)5-7-25(8-6-19)18-12-21-11-17(24-18)14-9-22-13-23-10-14/h1-4,9-13,26H,5-8H2
InChIKeyZOCSOQKIWDHBDS-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.56
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol

4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol (PubChem CID 155263855) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
PubChem CID155263855
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2cncc(-c3cncnc3)n2)CC1
InChIInChI=1S/C19H18FN5O/c20-16-3-1-15(2-4-16)19(26)5-7-25(8-6-19)18-12-21-11-17(24-18)14-9-22-13-23-10-14/h1-4,9-13,26H,5-8H2
InChIKeyZOCSOQKIWDHBDS-UHFFFAOYSA-N
XLogP2.56
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol (CID 155263855) is 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(c2cncc(-c3cncnc3)n2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol?
The InChIKey is ZOCSOQKIWDHBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-16-3-1-15(2-4-16)19(26)5-7-25(8-6-19)18-12-21-11-17(24-18)14-9-22-13-23-10-14/h1-4,9-13,26H,5-8H2.
What are the key properties of 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol?
4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol has a molecular weight of 351.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 155263855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).