4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol

C19H24F2N4O2 — CID 10474783

IUPAC4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESCOc1nc(N2CCN(CCCC(O)c3ccc(F)cc3)CC2)ncc1F
InChIInChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
InChIKeyLTCULVKPMWAHBA-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.40
Rot. Bonds7

About 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol

4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol (PubChem CID 10474783) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
PubChem CID10474783
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESCOc1nc(N2CCN(CCCC(O)c3ccc(F)cc3)CC2)ncc1F
InChIInChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3
InChIKeyLTCULVKPMWAHBA-UHFFFAOYSA-N
XLogP2.40
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol with MolForge

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Related Compounds

Bmy-14802
CID 108046
5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-2-((R)-2-methylpiperazin-1-yl)pyrimidine
CID 44573547
1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10426775
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 10321125
4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10476595
2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol
CID 10021536
1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-propan-1-ol
CID 10404634
3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol
CID 10407185
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-ol
CID 10709212
4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 11726318

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol (CID 10474783) is 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol is COc1nc(N2CCN(CCCC(O)c3ccc(F)cc3)CC2)ncc1F.
What is the InChIKey of 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is LTCULVKPMWAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3.
What are the key properties of 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 378.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 10474783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).