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

C21H29N3O2 — CID 120767888

IUPAC1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1OCC(C)C
InChIInChI=1S/C21H29N3O2/c1-16(2)15-26-21-11-17(6-7-20(21)25-3)14-24-10-9-23-13-19(24)18-5-4-8-22-12-18/h4-8,11-12,16,19,23H,9-10,13-15H2,1-3H3
InChIKeyYFCZLNDYHNAASI-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.27
Rot. Bonds7

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

1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120767888) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120767888
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2c2cccnc2)cc1OCC(C)C
InChIInChI=1S/C21H29N3O2/c1-16(2)15-26-21-11-17(6-7-20(21)25-3)14-24-10-9-23-13-19(24)18-5-4-8-22-12-18/h4-8,11-12,16,19,23H,9-10,13-15H2,1-3H3
InChIKeyYFCZLNDYHNAASI-UHFFFAOYSA-N
XLogP3.27
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
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
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
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
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120767888) is 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is COc1ccc(CN2CCNCC2c2cccnc2)cc1OCC(C)C.
What is the InChIKey of 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is YFCZLNDYHNAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(2)15-26-21-11-17(6-7-20(21)25-3)14-24-10-9-23-13-19(24)18-5-4-8-22-12-18/h4-8,11-12,16,19,23H,9-10,13-15H2,1-3H3.
What are the key properties of 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 355.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120767888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).