2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol

C17H21FN4O — CID 118022920

IUPAC2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol
SMILESCC(CO)(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C17H21FN4O/c1-17(12-23,13-2-4-15(18)5-3-13)14-10-20-16(21-11-14)22-8-6-19-7-9-22/h2-5,10-11,19,23H,6-9,12H2,1H3
InChIKeyNVZDWVASTWHIQO-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol

2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol (PubChem CID 118022920) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol
PubChem CID118022920
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol
SMILESCC(CO)(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C17H21FN4O/c1-17(12-23,13-2-4-15(18)5-3-13)14-10-20-16(21-11-14)22-8-6-19-7-9-22/h2-5,10-11,19,23H,6-9,12H2,1H3
InChIKeyNVZDWVASTWHIQO-UHFFFAOYSA-N
XLogP1.32
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol (CID 118022920) is 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol is CC(CO)(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol?
The InChIKey is NVZDWVASTWHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-17(12-23,13-2-4-15(18)5-3-13)14-10-20-16(21-11-14)22-8-6-19-7-9-22/h2-5,10-11,19,23H,6-9,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol?
2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol has a molecular weight of 316.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 118022920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).