(E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C23H25N3O — CID 5347725

IUPAC(E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O/c1-27-22-10-4-6-19(16-22)17-24-26-14-12-25(13-15-26)18-21-9-5-8-20-7-2-3-11-23(20)21/h2-11,16-17H,12-15,18H2,1H3/b24-17+
InChIKeyIWVMDVXYTFEKCN-JJIBRWJFSA-N
MW359.47 g/mol
LogP4.00
Rot. Bonds5

About (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5347725) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5347725
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O/c1-27-22-10-4-6-19(16-22)17-24-26-14-12-25(13-15-26)18-21-9-5-8-20-7-2-3-11-23(20)21/h2-11,16-17H,12-15,18H2,1H3/b24-17+
InChIKeyIWVMDVXYTFEKCN-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-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5347725) is (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is COc1cccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is IWVMDVXYTFEKCN-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-22-10-4-6-19(16-22)17-24-26-14-12-25(13-15-26)18-21-9-5-8-20-7-2-3-11-23(20)21/h2-11,16-17H,12-15,18H2,1H3/b24-17+.
What are the key properties of (E)-1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(3-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-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5347725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).