1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine

C17H18F2N2 — CID 64926018

IUPAC1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2c(F)cccc2F)CCN1
InChIInChI=1S/C17H18F2N2/c1-17(13-6-3-2-4-7-13)12-21(11-10-20-17)16-14(18)8-5-9-15(16)19/h2-9,20H,10-12H2,1H3
InChIKeyVCNSWCZUQRMKCT-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.29
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine

1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine (PubChem CID 64926018) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine
PubChem CID64926018
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(c2c(F)cccc2F)CCN1
InChIInChI=1S/C17H18F2N2/c1-17(13-6-3-2-4-7-13)12-21(11-10-20-17)16-14(18)8-5-9-15(16)19/h2-9,20H,10-12H2,1H3
InChIKeyVCNSWCZUQRMKCT-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine (CID 64926018) is 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(c2c(F)cccc2F)CCN1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine?
The InChIKey is VCNSWCZUQRMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-17(13-6-3-2-4-7-13)12-21(11-10-20-17)16-14(18)8-5-9-15(16)19/h2-9,20H,10-12H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine?
1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine has a molecular weight of 288.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64926018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).