1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine

C21H28N2O — CID 46890391

IUPAC1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
InChIKeyHSRUEFWMMBYMIL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.66
Rot. Bonds6

About 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine

1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine (PubChem CID 46890391) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine
PubChem CID46890391
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine
SMILESCC(C)Oc1ccccc1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
InChIKeyHSRUEFWMMBYMIL-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine (CID 46890391) is 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine is CC(C)Oc1ccccc1CC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine?
The InChIKey is HSRUEFWMMBYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3.
What are the key properties of 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine?
1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-2-(2-propan-2-yloxyphenyl)ethyl]piperazine is sourced from PubChem (CID 46890391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).