1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

C22H30N2O2 — CID 134147055

IUPAC1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCOc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3
InChIKeyJINGANVHFUGONE-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.85
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 134147055) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID134147055
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCOc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3
InChIKeyJINGANVHFUGONE-UHFFFAOYSA-N
XLogP3.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (CID 134147055) is 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is JINGANVHFUGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(2)26-22-10-5-4-9-21(22)24-15-13-23(14-16-24)12-11-19-7-6-8-20(17-19)25-3/h4-10,17-18H,11-16H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 134147055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).