1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride

C18H23ClN2O — CID 53238356

IUPAC1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride
SMILESCc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H
InChIKeyNHOSAEPFSIDHPV-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.93
Rot. Bonds3

About 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride

1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride (PubChem CID 53238356) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride
PubChem CID53238356
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride
SMILESCc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H
InChIKeyNHOSAEPFSIDHPV-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride (CID 53238356) is 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride is Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride?
The InChIKey is NHOSAEPFSIDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride?
1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 53238356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).