N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine

C17H21N3OS — CID 761607

IUPACN-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
SMILESCOc1ccccc1N1CCN(N=Cc2ccc(C)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3
InChIKeyUXFMUNUHVASOAH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.22
Rot. Bonds4

About N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine

N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine (PubChem CID 761607) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
PubChem CID761607
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
SMILESCOc1ccccc1N1CCN(N=Cc2ccc(C)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3
InChIKeyUXFMUNUHVASOAH-UHFFFAOYSA-N
XLogP3.22
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
CID 5344420
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
2,4-diiodo-6-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 135506049
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409
(Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
CID 6996171
(E)-1-(2,3-dimethoxyphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
CID 6899320
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine?
The IUPAC name of N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine (CID 761607) is N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine.
What is the SMILES notation for N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine?
The canonical SMILES for N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine is COc1ccccc1N1CCN(N=Cc2ccc(C)s2)CC1.
What is the InChIKey of N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine?
The InChIKey is UXFMUNUHVASOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine?
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine has a molecular weight of 315.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 761607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).