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

C16H19N3S — CID 22301047

IUPAC(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine
SMILES[H]/N=C(\c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c17-16(15-7-4-12-20-15)19-10-8-18(9-11-19)13-14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2/b17-16+
InChIKeyUQGLAJMAHGMBAQ-WUKNDPDISA-N
MW285.42 g/mol
LogP2.89
Rot. Bonds3

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

(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine (PubChem CID 22301047) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine
PubChem CID22301047
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine
SMILES[H]/N=C(\c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3S/c17-16(15-7-4-12-20-15)19-10-8-18(9-11-19)13-14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2/b17-16+
InChIKeyUQGLAJMAHGMBAQ-WUKNDPDISA-N
XLogP2.89
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-[fluoro(thiophen-2-yl)methylidene]piperidine
CID 86242127
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 3245545
N-[(1R,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181337
N-[(1S,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181343
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;oxalic acid
CID 2926890
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine?
The IUPAC name of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine (CID 22301047) is (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine?
The canonical SMILES for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine is [H]/N=C(\c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine?
The InChIKey is UQGLAJMAHGMBAQ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H19N3S/c17-16(15-7-4-12-20-15)19-10-8-18(9-11-19)13-14-5-2-1-3-6-14/h1-7,12,17H,8-11,13H2/b17-16+.
What are the key properties of (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine?
(4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine has a molecular weight of 285.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-thiophen-2-ylmethanimine is sourced from PubChem (CID 22301047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).