2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C15H18FN5O2 — CID 23609713

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H18FN5O2/c1-22-14-17-13(18-15(19-14)23-2)21-9-7-20(8-10-21)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3
InChIKeyDCXOCWJDMDCOIY-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 23609713) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID23609713
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C15H18FN5O2/c1-22-14-17-13(18-15(19-14)23-2)21-9-7-20(8-10-21)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3
InChIKeyDCXOCWJDMDCOIY-UHFFFAOYSA-N
XLogP1.35
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 23609713) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is DCXOCWJDMDCOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-22-14-17-13(18-15(19-14)23-2)21-9-7-20(8-10-21)12-6-4-3-5-11(12)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 319.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 23609713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).