(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine

C18H23N3S — CID 5393057

IUPAC(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
SMILESCc1ccc(CN2CCN(/N=C\c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H23N3S/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13-
InChIKeyMLYWIJXPASTKBO-UYRXBGFRSA-N
MW313.47 g/mol
LogP3.52
Rot. Bonds4

About (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine

(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine (PubChem CID 5393057) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
PubChem CID5393057
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
SMILESCc1ccc(CN2CCN(/N=C\c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H23N3S/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13-
InChIKeyMLYWIJXPASTKBO-UYRXBGFRSA-N
XLogP3.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.52
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
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
CID 5415240
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine
CID 879090
(E)-1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 5347583
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 879035
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
CID 1367450
2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 5074564
(E,Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6900705
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 1034070
1-(2,5-dimethoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 1369069
methyl 4-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
CID 5435001
5-(diethylamino)-2-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135948699

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine?
The IUPAC name of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine (CID 5393057) is (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine is Cc1ccc(CN2CCN(/N=C\c3cccs3)CC2)c(C)c1.
What is the InChIKey of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine?
The InChIKey is MLYWIJXPASTKBO-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H23N3S/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/b19-13-.
What are the key properties of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine?
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine has a molecular weight of 313.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 5393057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).