1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine

C21H28N2O — CID 134150497

IUPAC1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyIBAMCKKDXCRFQF-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.84
Rot. Bonds6

About 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine

1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 134150497) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID134150497
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyIBAMCKKDXCRFQF-UHFFFAOYSA-N
XLogP3.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine (CID 134150497) is 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is IBAMCKKDXCRFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-18(2)24-21-11-7-6-10-20(21)23-16-14-22(15-17-23)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine?
1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 134150497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).