1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol

C17H20F2N4O — CID 10404634

IUPAC1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2
InChIKeyGJHQJZCASPURFX-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol

1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol (PubChem CID 10404634) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol
PubChem CID10404634
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2
InChIKeyGJHQJZCASPURFX-UHFFFAOYSA-N
XLogP2.00
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol (CID 10404634) is 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol is OC(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is GJHQJZCASPURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12,16,24H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol?
1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 334.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10404634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).