1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

C15H17ClN2S — CID 23992579

IUPAC1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H17ClN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
InChIKeyXKJCYPAWMASKGX-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine

1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 23992579) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID23992579
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESClc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H17ClN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2
InChIKeyXKJCYPAWMASKGX-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methaphenilene
CID 10306
1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893728
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763194
1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
CID 763343
1-(4-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763625
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
2-{[4-(2-Chlorophenyl)piperazinyl]sulfonyl}thiophene
CID 1245098
1-(4-Chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine
CID 57401820
1-(2,3-Dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 72164180
1-(3,4-Dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 72164182
2-chloro-N-[[5-[(2-chloroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155529203
4-(4-chlorophenyl)-N-[1-(2-thienyl)ethylidene]-1-piperazinamine
CID 6953208

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 23992579) is 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is Clc1ccccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is XKJCYPAWMASKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-19-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 292.83 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 23992579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).