1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine

C19H24N2O — CID 3826471

IUPAC1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyAMBPIKSQPHQYTQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine

1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine (PubChem CID 3826471) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
PubChem CID3826471
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyAMBPIKSQPHQYTQ-UHFFFAOYSA-N
XLogP3.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine (CID 3826471) is 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine is COc1ccccc1N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine?
The InChIKey is AMBPIKSQPHQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine?
1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 3826471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).