2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol

C18H22ClFN4O — CID 138996774

IUPAC2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1ncnc(N2CCN(C(CO)c3ccc(Cl)cc3)CC2)c1F
InChIInChI=1S/C18H22ClFN4O/c1-2-15-17(20)18(22-12-21-15)24-9-7-23(8-10-24)16(11-25)13-3-5-14(19)6-4-13/h3-6,12,16,25H,2,7-11H2,1H3
InChIKeyHOTAERVAWUXWIP-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol

2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 138996774) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID138996774
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCCc1ncnc(N2CCN(C(CO)c3ccc(Cl)cc3)CC2)c1F
InChIInChI=1S/C18H22ClFN4O/c1-2-15-17(20)18(22-12-21-15)24-9-7-23(8-10-24)16(11-25)13-3-5-14(19)6-4-13/h3-6,12,16,25H,2,7-11H2,1H3
InChIKeyHOTAERVAWUXWIP-UHFFFAOYSA-N
XLogP2.69
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol (CID 138996774) is 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol is CCc1ncnc(N2CCN(C(CO)c3ccc(Cl)cc3)CC2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is HOTAERVAWUXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c1-2-15-17(20)18(22-12-21-15)24-9-7-23(8-10-24)16(11-25)13-3-5-14(19)6-4-13/h3-6,12,16,25H,2,7-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol?
2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 364.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 138996774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).