1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine

C23H24ClN3O — CID 56658931

IUPAC1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H24ClN3O/c1-28-22-7-3-2-6-21(22)26-13-15-27(16-14-26)23(19-5-4-12-25-17-19)18-8-10-20(24)11-9-18/h2-12,17,23H,13-16H2,1H3
InChIKeyDCIWNBRALFUQIM-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.66
Rot. Bonds5

About 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine

1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 56658931) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID56658931
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H24ClN3O/c1-28-22-7-3-2-6-21(22)26-13-15-27(16-14-26)23(19-5-4-12-25-17-19)18-8-10-20(24)11-9-18/h2-12,17,23H,13-16H2,1H3
InChIKeyDCIWNBRALFUQIM-UHFFFAOYSA-N
XLogP4.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine (CID 56658931) is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DCIWNBRALFUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-28-22-7-3-2-6-21(22)26-13-15-27(16-14-26)23(19-5-4-12-25-17-19)18-8-10-20(24)11-9-18/h2-12,17,23H,13-16H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine?
1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 393.92 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 56658931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).