1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine

C23H31N3O — CID 19802562

IUPAC1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C23H31N3O/c1-27-23-12-6-5-11-21(23)26-17-15-24(16-18-26)19-22(25-13-7-8-14-25)20-9-3-2-4-10-20/h2-6,9-12,22H,7-8,13-19H2,1H3
InChIKeyIFAZVJQYLBUMBA-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine

1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 19802562) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine
PubChem CID19802562
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C23H31N3O/c1-27-23-12-6-5-11-21(23)26-17-15-24(16-18-26)19-22(25-13-7-8-14-25)20-9-3-2-4-10-20/h2-6,9-12,22H,7-8,13-19H2,1H3
InChIKeyIFAZVJQYLBUMBA-UHFFFAOYSA-N
XLogP3.65
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine (CID 19802562) is 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine is COc1ccccc1N1CCN(CC(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is IFAZVJQYLBUMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-27-23-12-6-5-11-21(23)26-17-15-24(16-18-26)19-22(25-13-7-8-14-25)20-9-3-2-4-10-20/h2-6,9-12,22H,7-8,13-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine?
1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 365.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(2-phenyl-2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 19802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).