1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol

C18H23FN4O — CID 10426775

IUPAC1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
InChIKeyZTPBJWUQRZTCOT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.25
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol

1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol (PubChem CID 10426775) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol
PubChem CID10426775
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol
SMILESOC(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
InChIKeyZTPBJWUQRZTCOT-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol (CID 10426775) is 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol is OC(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol?
The InChIKey is ZTPBJWUQRZTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol?
1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol has a molecular weight of 330.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 10426775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).