2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine

C16H26N2O — CID 82302997

IUPAC2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
SMILESCOc1cc(C)c(C2CNCCN2)cc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11-8-15(19-5)13(16(2,3)4)9-12(11)14-10-17-6-7-18-14/h8-9,14,17-18H,6-7,10H2,1-5H3
InChIKeyCGVYNBYJJQCJGA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds2

About 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine

2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine (PubChem CID 82302997) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
PubChem CID82302997
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
SMILESCOc1cc(C)c(C2CNCCN2)cc1C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-11-8-15(19-5)13(16(2,3)4)9-12(11)14-10-17-6-7-18-14/h8-9,14,17-18H,6-7,10H2,1-5H3
InChIKeyCGVYNBYJJQCJGA-UHFFFAOYSA-N
XLogP2.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine?
The IUPAC name of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine (CID 82302997) is 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine.
What is the SMILES notation for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine?
The canonical SMILES for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine is COc1cc(C)c(C2CNCCN2)cc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine?
The InChIKey is CGVYNBYJJQCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-15(19-5)13(16(2,3)4)9-12(11)14-10-17-6-7-18-14/h8-9,14,17-18H,6-7,10H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine?
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine is sourced from PubChem (CID 82302997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).