(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C21H23N3S — CID 5414843

IUPAC(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCc1ccsc1/C=N\N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H23N3S/c1-17-9-14-25-21(17)15-22-24-12-10-23(11-13-24)16-19-7-4-6-18-5-2-3-8-20(18)19/h2-9,14-15H,10-13,16H2,1H3/b22-15-
InChIKeyCLKQTSVGWGVKLN-JCMHNJIXSA-N
MW349.50 g/mol
LogP4.36
Rot. Bonds4

About (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5414843) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5414843
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCc1ccsc1/C=N\N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H23N3S/c1-17-9-14-25-21(17)15-22-24-12-10-23(11-13-24)16-19-7-4-6-18-5-2-3-8-20(18)19/h2-9,14-15H,10-13,16H2,1H3/b22-15-
InChIKeyCLKQTSVGWGVKLN-JCMHNJIXSA-N
XLogP4.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.36
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

N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
CID 879250
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
(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
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1368428
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 6886763
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
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methylthiophen-2-yl)methanimine
CID 6886002
1-(2,5-dimethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1358400
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 2870743

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5414843) is (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is Cc1ccsc1/C=N\N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is CLKQTSVGWGVKLN-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H23N3S/c1-17-9-14-25-21(17)15-22-24-12-10-23(11-13-24)16-19-7-4-6-18-5-2-3-8-20(18)19/h2-9,14-15H,10-13,16H2,1H3/b22-15-.
What are the key properties of (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 349.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5414843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).