1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine

C17H18F2N2 — CID 64832271

IUPAC1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
SMILESFc1ccc(F)c(CN2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-16(19)14(10-15)11-21-9-8-20-17(12-21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyYOLHGQOARHSUNF-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.11
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine

1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine (PubChem CID 64832271) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
PubChem CID64832271
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
SMILESFc1ccc(F)c(CN2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-16(19)14(10-15)11-21-9-8-20-17(12-21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyYOLHGQOARHSUNF-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine (CID 64832271) is 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine is Fc1ccc(F)c(CN2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine?
The InChIKey is YOLHGQOARHSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-15-6-7-16(19)14(10-15)11-21-9-8-20-17(12-21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine?
1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine has a molecular weight of 288.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine is sourced from PubChem (CID 64832271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).