(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine

C16H19N3S — CID 6861779

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1cccs1
InChIInChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/b17-13+
InChIKeyYVWDYPMRNJTENU-GHRIWEEISA-N
MW285.42 g/mol
LogP2.90
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine (PubChem CID 6861779) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
PubChem CID6861779
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1cccs1
InChIInChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/b17-13+
InChIKeyYVWDYPMRNJTENU-GHRIWEEISA-N
XLogP2.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine (CID 6861779) is (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccs1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is YVWDYPMRNJTENU-GHRIWEEISA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/b17-13+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 285.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 6861779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).