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

C18H23N3O — CID 120767890

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1C
InChIInChI=1S/C18H23N3O/c1-14-10-15(5-6-18(14)22-2)13-21-9-8-20-12-17(21)16-4-3-7-19-11-16/h3-7,10-11,17,20H,8-9,12-13H2,1-2H3
InChIKeyZGOPCMMDBILNHM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.55
Rot. Bonds4

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

1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120767890) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120767890
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1C
InChIInChI=1S/C18H23N3O/c1-14-10-15(5-6-18(14)22-2)13-21-9-8-20-12-17(21)16-4-3-7-19-11-16/h3-7,10-11,17,20H,8-9,12-13H2,1-2H3
InChIKeyZGOPCMMDBILNHM-UHFFFAOYSA-N
XLogP2.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
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-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120767888
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768105
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768167
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine (CID 120767890) is 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine is COc1ccc(CN2CCNCC2c2cccnc2)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is ZGOPCMMDBILNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-10-15(5-6-18(14)22-2)13-21-9-8-20-12-17(21)16-4-3-7-19-11-16/h3-7,10-11,17,20H,8-9,12-13H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine?
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 297.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120767890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).