1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine

C23H25N3O2 — CID 44818351

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine
SMILESCOc1ccc(/N=C(/c2ccc3cc(OC)ccc3c2)N2CCNCC2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-21-9-6-20(7-10-21)25-23(26-13-11-24-12-14-26)19-4-3-18-16-22(28-2)8-5-17(18)15-19/h3-10,15-16,24H,11-14H2,1-2H3/b25-23-
InChIKeyPAMYYTSVZYIWKY-BZZOAKBMSA-N
MW375.47 g/mol
LogP3.84
Rot. Bonds4

About 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine

1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine (PubChem CID 44818351) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine
PubChem CID44818351
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine
SMILESCOc1ccc(/N=C(/c2ccc3cc(OC)ccc3c2)N2CCNCC2)cc1
InChIInChI=1S/C23H25N3O2/c1-27-21-9-6-20(7-10-21)25-23(26-13-11-24-12-14-26)19-4-3-18-16-22(28-2)8-5-17(18)15-19/h3-10,15-16,24H,11-14H2,1-2H3/b25-23-
InChIKeyPAMYYTSVZYIWKY-BZZOAKBMSA-N
XLogP3.84
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine (CID 44818351) is 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine is COc1ccc(/N=C(/c2ccc3cc(OC)ccc3c2)N2CCNCC2)cc1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine?
The InChIKey is PAMYYTSVZYIWKY-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-21-9-6-20(7-10-21)25-23(26-13-11-24-12-14-26)19-4-3-18-16-22(28-2)8-5-17(18)15-19/h3-10,15-16,24H,11-14H2,1-2H3/b25-23-.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine?
1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine has a molecular weight of 375.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-(4-methoxyphenyl)-1-piperazin-1-ylmethanimine is sourced from PubChem (CID 44818351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).