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

C17H18F2N2 — CID 64937541

IUPAC1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2cccc(F)c2F)C(c2ccccc2)CN1
InChIInChI=1S/C17H18F2N2/c1-12-11-21(15-9-5-8-14(18)17(15)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3
InChIKeyAOBDDFXPKAEQKU-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.50
Rot. Bonds2

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

1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine (PubChem CID 64937541) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
PubChem CID64937541
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2cccc(F)c2F)C(c2ccccc2)CN1
InChIInChI=1S/C17H18F2N2/c1-12-11-21(15-9-5-8-14(18)17(15)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3
InChIKeyAOBDDFXPKAEQKU-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
CID 64936803
1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine
CID 107603931
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
1-(4-bromo-2-methylphenyl)-5-methyl-2-phenylpiperazine
CID 64938854
1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
CID 64937185
(2-fluorophenyl)-(5-methyl-2-phenylpiperazin-1-yl)methanone
CID 82252045
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465
5-methyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
CID 79787047
1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine (CID 64937541) is 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine is CC1CN(c2cccc(F)c2F)C(c2ccccc2)CN1.
What is the InChIKey of 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is AOBDDFXPKAEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-12-11-21(15-9-5-8-14(18)17(15)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine?
1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 288.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64937541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).