1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine

C25H29N3O — CID 22482098

IUPAC1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C25H29N3O/c1-29-25-13-6-5-12-24(25)28-19-17-27(18-20-28)16-14-22(21-9-3-2-4-10-21)23-11-7-8-15-26-23/h2-13,15,22H,14,16-20H2,1H3
InChIKeyBOGBWUFHNKTLCY-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.43
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine

1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine (PubChem CID 22482098) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
PubChem CID22482098
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(c2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C25H29N3O/c1-29-25-13-6-5-12-24(25)28-19-17-27(18-20-28)16-14-22(21-9-3-2-4-10-21)23-11-7-8-15-26-23/h2-13,15,22H,14,16-20H2,1H3
InChIKeyBOGBWUFHNKTLCY-UHFFFAOYSA-N
XLogP4.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.43
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-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine (CID 22482098) is 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine is COc1ccccc1N1CCN(CCC(c2ccccc2)c2ccccn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
The InChIKey is BOGBWUFHNKTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-29-25-13-6-5-12-24(25)28-19-17-27(18-20-28)16-14-22(21-9-3-2-4-10-21)23-11-7-8-15-26-23/h2-13,15,22H,14,16-20H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine?
1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine has a molecular weight of 387.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine is sourced from PubChem (CID 22482098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).