1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine

C16H26N2O — CID 82090991

IUPAC1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
SMILESCc1cc(C)cc(OC(C)(C)CN2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-9-14(2)11-15(10-13)19-16(3,4)12-18-7-5-17-6-8-18/h9-11,17H,5-8,12H2,1-4H3
InChIKeyQAZZOHCCCUPBME-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine

1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine (PubChem CID 82090991) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
PubChem CID82090991
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
SMILESCc1cc(C)cc(OC(C)(C)CN2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-9-14(2)11-15(10-13)19-16(3,4)12-18-7-5-17-6-8-18/h9-11,17H,5-8,12H2,1-4H3
InChIKeyQAZZOHCCCUPBME-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine (CID 82090991) is 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine is Cc1cc(C)cc(OC(C)(C)CN2CCNCC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine?
The InChIKey is QAZZOHCCCUPBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-9-14(2)11-15(10-13)19-16(3,4)12-18-7-5-17-6-8-18/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine?
1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine is sourced from PubChem (CID 82090991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).