1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine

C20H33N3O — CID 83979124

IUPAC1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine
SMILESCCOc1ccccc1C(CN1CCCC1)N1CCNCC1CC
InChIInChI=1S/C20H33N3O/c1-3-17-15-21-11-14-23(17)19(16-22-12-7-8-13-22)18-9-5-6-10-20(18)24-4-2/h5-6,9-10,17,19,21H,3-4,7-8,11-16H2,1-2H3
InChIKeyJVBJHMIPIHUYLK-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.91
Rot. Bonds7

About 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine

1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine (PubChem CID 83979124) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine
PubChem CID83979124
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine
SMILESCCOc1ccccc1C(CN1CCCC1)N1CCNCC1CC
InChIInChI=1S/C20H33N3O/c1-3-17-15-21-11-14-23(17)19(16-22-12-7-8-13-22)18-9-5-6-10-20(18)24-4-2/h5-6,9-10,17,19,21H,3-4,7-8,11-16H2,1-2H3
InChIKeyJVBJHMIPIHUYLK-UHFFFAOYSA-N
XLogP2.91
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine (CID 83979124) is 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine is CCOc1ccccc1C(CN1CCCC1)N1CCNCC1CC.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine?
The InChIKey is JVBJHMIPIHUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-17-15-21-11-14-23(17)19(16-22-12-7-8-13-22)18-9-5-6-10-20(18)24-4-2/h5-6,9-10,17,19,21H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine?
1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine has a molecular weight of 331.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine is sourced from PubChem (CID 83979124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).