N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine

C15H17N3S — CID 761163

IUPACN-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=NN1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C15H17N3S/c1-2-5-14(6-3-1)17-8-10-18(11-9-17)16-13-15-7-4-12-19-15/h1-7,12-13H,8-11H2
InChIKeyITCIBPUXUFQHKN-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.90
Rot. Bonds3

About N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine

N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine (PubChem CID 761163) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
PubChem CID761163
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
SMILESC(=NN1CCN(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C15H17N3S/c1-2-5-14(6-3-1)17-8-10-18(11-9-17)16-13-15-7-4-12-19-15/h1-7,12-13H,8-11H2
InChIKeyITCIBPUXUFQHKN-UHFFFAOYSA-N
XLogP2.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
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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Related Compounds

(E)-N-(4-phenylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 5347654
(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
CID 6863203
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 135635815
N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
CID 961227
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
CID 5393057
(E)-N-(4-phenylpiperazin-1-yl)-1-(4-propoxyphenyl)methanimine
CID 6879060
(Z)-N-(4-phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5344533
2-methyl-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 727330
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
1-(5-bromo-2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
CID 1185111

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine (CID 761163) is N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is C(=NN1CCN(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is ITCIBPUXUFQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-5-14(6-3-1)17-8-10-18(11-9-17)16-13-15-7-4-12-19-15/h1-7,12-13H,8-11H2.
What are the key properties of N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine?
N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 271.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 761163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).