1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine

C19H18Cl2N2S — CID 11280344

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine
SMILESClc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl
InChIInChI=1S/C19H18Cl2N2S/c20-16-5-3-6-17(19(16)21)23-10-8-22(9-11-23)12-14-13-24-18-7-2-1-4-15(14)18/h1-7,13H,8-12H2
InChIKeyBLVKQYQCYGVTBD-UHFFFAOYSA-N
MW377.34 g/mol
LogP5.53
Rot. Bonds3

About 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine

1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine (PubChem CID 11280344) has the molecular formula C19H18Cl2N2S and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine
PubChem CID11280344
Molecular FormulaC19H18Cl2N2S
Molecular Weight377.34 g/mol
Exact Mass376.06
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine
SMILESClc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl
InChIInChI=1S/C19H18Cl2N2S/c20-16-5-3-6-17(19(16)21)23-10-8-22(9-11-23)12-14-13-24-18-7-2-1-4-15(14)18/h1-7,13H,8-12H2
InChIKeyBLVKQYQCYGVTBD-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzothiophene-3-carboxamide
CID 54585306
N-(Benzo[b]thiophen-2-ylmethyl)-4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-N-propylbutan-1-amine
CID 54580387
1-(2,3-Dichlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 72164180
[1-(2-{2-[(2,4-Dichloro-phenylamino)-methyl]-benzo[b]thiophen-3-yl}-ethyl)-piperidin-4-yl]-dimethyl-amine
CID 44362838
1-(1-Benzothiophen-3-ylmethyl)-3-(2,3-dichlorophenyl)thiourea
CID 2826133
1-(1-Benzothiophen-7-yl)-4-[4-(2-chloro-4-fluorophenyl)sulfanylbutyl]piperazine
CID 10181399
1-(1-Benzothiophen-7-yl)-4-[3-(2-chloro-4-fluorophenyl)sulfanylpropyl]piperazine
CID 10223940
1-[(5-Chloro-1-benzothien-3-yl)methyl]-4-(2-fluorophenyl)piperazine
CID 10451194
6-Chloro-1,2,3,4-tetrahydro-1,3-dimethyl-2-phenyl[1]benzothieno[2,3-c]pyridine hydrochloride
CID 129837617
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 30739123
1-(1-benzothiophen-3-yl)-N-(3-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107364443
1-(1-benzothiophen-3-yl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527989

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine (CID 11280344) is 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine is Clc1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1Cl.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine?
The InChIKey is BLVKQYQCYGVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2S/c20-16-5-3-6-17(19(16)21)23-10-8-22(9-11-23)12-14-13-24-18-7-2-1-4-15(14)18/h1-7,13H,8-12H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine?
1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine has a molecular weight of 377.34 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine is sourced from PubChem (CID 11280344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).