1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

C23H26N4O2 — CID 120768336

IUPAC1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1OCc1cccnc1
InChIInChI=1S/C23H26N4O2/c1-28-22-7-6-18(12-23(22)29-17-19-4-2-8-24-13-19)16-27-11-10-26-15-21(27)20-5-3-9-25-14-20/h2-9,12-14,21,26H,10-11,15-17H2,1H3
InChIKeyZNLQIEYHOFHDQV-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.21
Rot. Bonds7

About 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120768336) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120768336
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1OCc1cccnc1
InChIInChI=1S/C23H26N4O2/c1-28-22-7-6-18(12-23(22)29-17-19-4-2-8-24-13-19)16-27-11-10-26-15-21(27)20-5-3-9-25-14-20/h2-9,12-14,21,26H,10-11,15-17H2,1H3
InChIKeyZNLQIEYHOFHDQV-UHFFFAOYSA-N
XLogP3.21
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768105
1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120767888
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-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768167
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120768336) is 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is COc1ccc(CN2CCNCC2c2cccnc2)cc1OCc1cccnc1.
What is the InChIKey of 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is ZNLQIEYHOFHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-22-7-6-18(12-23(22)29-17-19-4-2-8-24-13-19)16-27-11-10-26-15-21(27)20-5-3-9-25-14-20/h2-9,12-14,21,26H,10-11,15-17H2,1H3.
What are the key properties of 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 390.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120768336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).