2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine

C18H23FN4 — CID 57393083

IUPAC2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H23FN4/c19-17-7-5-16(6-8-17)4-1-2-11-22-12-14-23(15-13-22)18-20-9-3-10-21-18/h3,5-10H,1-2,4,11-15H2
InChIKeyGTBFEJIEYNPFMI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine

2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine (PubChem CID 57393083) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
PubChem CID57393083
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H23FN4/c19-17-7-5-16(6-8-17)4-1-2-11-22-12-14-23(15-13-22)18-20-9-3-10-21-18/h3,5-10H,1-2,4,11-15H2
InChIKeyGTBFEJIEYNPFMI-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine (CID 57393083) is 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine is Fc1ccc(CCCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The InChIKey is GTBFEJIEYNPFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c19-17-7-5-16(6-8-17)4-1-2-11-22-12-14-23(15-13-22)18-20-9-3-10-21-18/h3,5-10H,1-2,4,11-15H2.
What are the key properties of 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine has a molecular weight of 314.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 57393083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).