3-benzyl-1-(2,5-difluorophenyl)piperazine

C17H18F2N2 — CID 64925374

IUPAC3-benzyl-1-(2,5-difluorophenyl)piperazine
SMILESFc1ccc(F)c(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyHDONMOVMBPMHFS-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.99
Rot. Bonds3

About 3-benzyl-1-(2,5-difluorophenyl)piperazine

3-benzyl-1-(2,5-difluorophenyl)piperazine (PubChem CID 64925374) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-benzyl-1-(2,5-difluorophenyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(2,5-difluorophenyl)piperazine
PubChem CID64925374
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-benzyl-1-(2,5-difluorophenyl)piperazine
SMILESFc1ccc(F)c(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyHDONMOVMBPMHFS-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2,5-difluorophenyl)piperazine?
The IUPAC name of 3-benzyl-1-(2,5-difluorophenyl)piperazine (CID 64925374) is 3-benzyl-1-(2,5-difluorophenyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(2,5-difluorophenyl)piperazine?
The canonical SMILES for 3-benzyl-1-(2,5-difluorophenyl)piperazine is Fc1ccc(F)c(N2CCNC(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-benzyl-1-(2,5-difluorophenyl)piperazine?
The InChIKey is HDONMOVMBPMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2.
What are the key properties of 3-benzyl-1-(2,5-difluorophenyl)piperazine?
3-benzyl-1-(2,5-difluorophenyl)piperazine has a molecular weight of 288.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2,5-difluorophenyl)piperazine is sourced from PubChem (CID 64925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).