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

C19H24F2N4O — CID 10021536

IUPAC2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3
InChIKeyINVDAXJKYDQCMS-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.56
Rot. Bonds6

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

2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol (PubChem CID 10021536) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol
PubChem CID10021536
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol
SMILESCC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3
InChIKeyINVDAXJKYDQCMS-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol (CID 10021536) is 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol is CC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol?
The InChIKey is INVDAXJKYDQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-19(26,15-3-5-16(20)6-4-15)7-2-8-24-9-11-25(12-10-24)18-22-13-17(21)14-23-18/h3-6,13-14,26H,2,7-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol?
2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol has a molecular weight of 362.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 10021536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).