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

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Related Compounds

1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
5-(4-Chloro-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 9978490
13-Chloro-2-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10094317
Phenyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carboxylate
CID 10598920
Phenyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl)piperazine-1-carboxylate
CID 10670356
1-[5-(3-Chloro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198548
1-(2-methoxyphenyl)-4-((1-o-tolyl-1H-pyrrol-3-yl)methyl)piperazine
CID 44388858
5-(4-Chlorophenyl)-2-[2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]pyridine
CID 59835728
5-(4-Chloro-phenyl)-3-fluoro-2-{4-[2-(4-methyl-piperidin-1-yl)-ethoxy]-phenylethynyl}-pyridine
CID 59835780
1-[2-[4-[2-[5-(4-Chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]-4-methylpiperazine
CID 59835853
5-(4-Chloro-phenyl)-2-[5-(2-pyrrolidin-1-yl-ethoxy)-pyridin-2-yl-ethynyl]-pyridine
CID 59835871

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).