2,5-dimethyl-1-(2-phenoxyphenyl)piperazine

C18H22N2O — CID 64951899

IUPAC2,5-dimethyl-1-(2-phenoxyphenyl)piperazine
SMILESCC1CN(c2ccccc2Oc2ccccc2)C(C)CN1
InChIInChI=1S/C18H22N2O/c1-14-13-20(15(2)12-19-14)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3
InChIKeyNMCDFTYNOGAJBW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds3

About 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine

2,5-dimethyl-1-(2-phenoxyphenyl)piperazine (PubChem CID 64951899) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-phenoxyphenyl)piperazine
PubChem CID64951899
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,5-dimethyl-1-(2-phenoxyphenyl)piperazine
SMILESCC1CN(c2ccccc2Oc2ccccc2)C(C)CN1
InChIInChI=1S/C18H22N2O/c1-14-13-20(15(2)12-19-14)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3
InChIKeyNMCDFTYNOGAJBW-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine (CID 64951899) is 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine is CC1CN(c2ccccc2Oc2ccccc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine?
The InChIKey is NMCDFTYNOGAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-13-20(15(2)12-19-14)17-10-6-7-11-18(17)21-16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine?
2,5-dimethyl-1-(2-phenoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-phenoxyphenyl)piperazine is sourced from PubChem (CID 64951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).