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

C18H22F2N4 — CID 15729885

IUPAC5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CCCCN2CCN(c3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C18H22F2N4/c19-16-6-4-15(5-7-16)3-1-2-8-23-9-11-24(12-10-23)18-21-13-17(20)14-22-18/h4-7,13-14H,1-3,8-12H2
InChIKeyUQUNVINPNBJTFF-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.90
Rot. Bonds6

About 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine

5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine (PubChem CID 15729885) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
PubChem CID15729885
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(CCCCN2CCN(c3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C18H22F2N4/c19-16-6-4-15(5-7-16)3-1-2-8-23-9-11-24(12-10-23)18-21-13-17(20)14-22-18/h4-7,13-14H,1-3,8-12H2
InChIKeyUQUNVINPNBJTFF-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.90
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 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine (CID 15729885) is 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine is Fc1ccc(CCCCN2CCN(c3ncc(F)cn3)CC2)cc1.
What is the InChIKey of 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
The InChIKey is UQUNVINPNBJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c19-16-6-4-15(5-7-16)3-1-2-8-23-9-11-24(12-10-23)18-21-13-17(20)14-22-18/h4-7,13-14H,1-3,8-12H2.
What are the key properties of 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine has a molecular weight of 332.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 15729885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).