(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C23H25N3O — CID 5343435

IUPAC(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c1-27-23-12-5-3-8-20(23)17-24-26-15-13-25(14-16-26)18-21-10-6-9-19-7-2-4-11-22(19)21/h2-12,17H,13-16,18H2,1H3/b24-17+
InChIKeyRUOIKHGKVSUZDP-JJIBRWJFSA-N
MW359.47 g/mol
LogP4.00
Rot. Bonds5

About (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5343435) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5343435
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C23H25N3O/c1-27-23-12-5-3-8-20(23)17-24-26-15-13-25(14-16-26)18-21-10-6-9-19-7-2-4-11-22(19)21/h2-12,17H,13-16,18H2,1H3/b24-17+
InChIKeyRUOIKHGKVSUZDP-JJIBRWJFSA-N
XLogP4.00
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5343435) is (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is COc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is RUOIKHGKVSUZDP-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-23-12-5-3-8-20(23)17-24-26-15-13-25(14-16-26)18-21-10-6-9-19-7-2-4-11-22(19)21/h2-12,17H,13-16,18H2,1H3/b24-17+.
What are the key properties of (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 359.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5343435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).