1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol

C24H25F3N4O — CID 10321125

IUPAC1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2
InChIKeyPEBXNNOYEDSSON-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.73
Rot. Bonds7

About 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol

1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (PubChem CID 10321125) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
PubChem CID10321125
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2
InChIKeyPEBXNNOYEDSSON-UHFFFAOYSA-N
XLogP3.73
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (CID 10321125) is 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is OC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is PEBXNNOYEDSSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-20-6-2-18(3-7-20)24(32,19-4-8-21(26)9-5-19)10-1-11-30-12-14-31(15-13-30)23-28-16-22(27)17-29-23/h2-9,16-17,32H,1,10-15H2.
What are the key properties of 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 442.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 10321125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).