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

C23H25N3O — CID 1368428

IUPAC1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(C=NN2CCN(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
InChIKeyIWVMDVXYTFEKCN-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.00
Rot. Bonds5

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

1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 1368428) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID1368428
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCOc1cccc(C=NN2CCN(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
InChIKeyIWVMDVXYTFEKCN-UHFFFAOYSA-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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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1358400
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 879035
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
CID 6869593
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 5405984
4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]benzoic acid
CID 1368833
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 2143797
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 2870743
(E,E)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6899949
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 5414843
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 1368428) is 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is COc1cccc(C=NN2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is IWVMDVXYTFEKCN-UHFFFAOYSA-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.
What are the key properties of 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
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 1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 1368428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).