1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine

C15H17ClN2S — CID 764864

IUPAC1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H17ClN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2
InChIKeyAVEWTKSKCDGJRN-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine

1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 764864) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
PubChem CID764864
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C15H17ClN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2
InChIKeyAVEWTKSKCDGJRN-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 ≤ 500292.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N'-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 5073031
3-(4-(4-Chlorophenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-one
CID 10640504
1-(4-Fluorophenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019107
1-(2-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 23992579
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine (CID 764864) is 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine is Clc1ccc(N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is AVEWTKSKCDGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-14-1-3-15(4-2-14)18-8-6-17(7-9-18)11-13-5-10-19-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine?
1-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine has a molecular weight of 292.84 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-(4-chlorophenyl)-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 764864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).