1-[4-(3,4-dimethylphenoxy)phenyl]piperazine

C18H22N2O — CID 39382281

IUPAC1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
SMILESCc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-3-6-18(13-15(14)2)21-17-7-4-16(5-8-17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
InChIKeyLDWNBVIEQLHBOX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds3

About 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine

1-[4-(3,4-dimethylphenoxy)phenyl]piperazine (PubChem CID 39382281) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
PubChem CID39382281
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
SMILESCc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-3-6-18(13-15(14)2)21-17-7-4-16(5-8-17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
InChIKeyLDWNBVIEQLHBOX-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine?
The IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine (CID 39382281) is 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine.
What is the SMILES notation for 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine?
The canonical SMILES for 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine is Cc1ccc(Oc2ccc(N3CCNCC3)cc2)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine?
The InChIKey is LDWNBVIEQLHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-3-6-18(13-15(14)2)21-17-7-4-16(5-8-17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine?
1-[4-(3,4-dimethylphenoxy)phenyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenoxy)phenyl]piperazine is sourced from PubChem (CID 39382281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).