1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine

C22H24N4O — CID 120768294

IUPAC1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1cc(CN2CCNCC2c2cccnc2)ccc1Oc1cccnc1
InChIInChI=1S/C22H24N4O/c1-17-12-18(6-7-22(17)27-20-5-3-9-24-14-20)16-26-11-10-25-15-21(26)19-4-2-8-23-13-19/h2-9,12-14,21,25H,10-11,15-16H2,1H3
InChIKeyFSONCTJONAUVDR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.72
Rot. Bonds5

About 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine

1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120768294) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120768294
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1cc(CN2CCNCC2c2cccnc2)ccc1Oc1cccnc1
InChIInChI=1S/C22H24N4O/c1-17-12-18(6-7-22(17)27-20-5-3-9-24-14-20)16-26-11-10-25-15-21(26)19-4-2-8-23-13-19/h2-9,12-14,21,25H,10-11,15-16H2,1H3
InChIKeyFSONCTJONAUVDR-UHFFFAOYSA-N
XLogP3.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120767888
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768105
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120768294) is 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine is Cc1cc(CN2CCNCC2c2cccnc2)ccc1Oc1cccnc1.
What is the InChIKey of 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is FSONCTJONAUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-12-18(6-7-22(17)27-20-5-3-9-24-14-20)16-26-11-10-25-15-21(26)19-4-2-8-23-13-19/h2-9,12-14,21,25H,10-11,15-16H2,1H3.
What are the key properties of 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 360.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120768294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).