2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine

C24H27N3O2 — CID 120767270

IUPAC2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
SMILESCOc1ccc(-c2ccncc2)cc1CN1CCNCC1c1ccccc1OC
InChIInChI=1S/C24H27N3O2/c1-28-23-8-7-19(18-9-11-25-12-10-18)15-20(23)17-27-14-13-26-16-22(27)21-5-3-4-6-24(21)29-2/h3-12,15,22,26H,13-14,16-17H2,1-2H3
InChIKeyCKNUJDQNJDCBRQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.91
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine

2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine (PubChem CID 120767270) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
PubChem CID120767270
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
SMILESCOc1ccc(-c2ccncc2)cc1CN1CCNCC1c1ccccc1OC
InChIInChI=1S/C24H27N3O2/c1-28-23-8-7-19(18-9-11-25-12-10-18)15-20(23)17-27-14-13-26-16-22(27)21-5-3-4-6-24(21)29-2/h3-12,15,22,26H,13-14,16-17H2,1-2H3
InChIKeyCKNUJDQNJDCBRQ-UHFFFAOYSA-N
XLogP3.91
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120754170

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine (CID 120767270) is 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine is COc1ccc(-c2ccncc2)cc1CN1CCNCC1c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine?
The InChIKey is CKNUJDQNJDCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-28-23-8-7-19(18-9-11-25-12-10-18)15-20(23)17-27-14-13-26-16-22(27)21-5-3-4-6-24(21)29-2/h3-12,15,22,26H,13-14,16-17H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine?
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine has a molecular weight of 389.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine is sourced from PubChem (CID 120767270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).