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

C24H32F2N4O — CID 15729913

IUPAC1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C24H32F2N4O/c25-21-9-7-20(8-10-21)24(31,19-5-2-1-3-6-19)11-4-12-29-13-15-30(16-14-29)23-27-17-22(26)18-28-23/h7-10,17-19,31H,1-6,11-16H2
InChIKeyDFJIEXYUBMAVDS-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.13
Rot. Bonds7

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

1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (PubChem CID 15729913) has the molecular formula C24H32F2N4O and a molecular weight of 430.54 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
PubChem CID15729913
Molecular FormulaC24H32F2N4O
Molecular Weight430.54 g/mol
Exact Mass430.25
IUPAC Name1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C24H32F2N4O/c25-21-9-7-20(8-10-21)24(31,19-5-2-1-3-6-19)11-4-12-29-13-15-30(16-14-29)23-27-17-22(26)18-28-23/h7-10,17-19,31H,1-6,11-16H2
InChIKeyDFJIEXYUBMAVDS-UHFFFAOYSA-N
XLogP4.13
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Bmy-14802
CID 108046
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CID 10426775
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CID 6604868
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CID 10321125
4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10363230
4-[4-(5-Bromo-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
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CID 19425759
1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-ol
CID 10002462
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
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (CID 15729913) is 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is OC(CCCN1CCN(c2ncc(F)cn2)CC1)(c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is DFJIEXYUBMAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O/c25-21-9-7-20(8-10-21)24(31,19-5-2-1-3-6-19)11-4-12-29-13-15-30(16-14-29)23-27-17-22(26)18-28-23/h7-10,17-19,31H,1-6,11-16H2.
What are the key properties of 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 430.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 15729913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).