(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine

C16H19N3S — CID 5402579

IUPAC(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCc1ccsc1/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c1-14-7-12-20-16(14)13-17-19-10-8-18(9-11-19)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3/b17-13+
InChIKeyWLPQXYHZHCARMA-GHRIWEEISA-N
MW285.42 g/mol
LogP3.21
Rot. Bonds3

About (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine

(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 5402579) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID5402579
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCc1ccsc1/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c1-14-7-12-20-16(14)13-17-19-10-8-18(9-11-19)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3/b17-13+
InChIKeyWLPQXYHZHCARMA-GHRIWEEISA-N
XLogP3.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.21
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

4-(4-methylphenyl)-N-[(3-methyl-2-thienyl)methylene]-1-piperazinamine
CID 5727608
4-(4-methylphenyl)-N-(2-thienylmethylene)-1-piperazinamine
CID 5727642
N-(4-(Methylthio)benzylidene)-4-phenyl-1-piperazinamine
CID 5727556
N-((5-Bromo-2-thienyl)methylene)-4-phenyl-1-piperazinamine
CID 5347702
1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
CID 763343
5-(4-Fluorophenyl)-4,5-dihydrothieno[2,3-d]pyridazine
CID 2767327
(4-Benzyl-piperazin-1-yl)-thiophen-2-ylmethylene-amine
CID 6861779
1-(4-Fluorophenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019107
4-(4-Methylbenzyl)-N-(2-thienylmethylene)-1-piperazinamine
CID 5726814
4-Benzyl-N-((5-methyl-2-thienyl)methylene)-1-piperazinamine
CID 6887705
KC 5944
CID 137311
4-benzyl-N-[(3-methyl-2-thienyl)methylene]-1-piperazinamine hydrochloride
CID 5342844

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 5402579) is (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine is Cc1ccsc1/C=N/N1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is WLPQXYHZHCARMA-GHRIWEEISA-N. The full InChI is InChI=1S/C16H19N3S/c1-14-7-12-20-16(14)13-17-19-10-8-18(9-11-19)15-5-3-2-4-6-15/h2-7,12-13H,8-11H2,1H3/b17-13+.
What are the key properties of (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine?
(E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 285.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylthiophen-2-yl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5402579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).