1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine

C19H18Cl2N2S — CID 3742114

IUPAC1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(C(c2cc3ccccc3s2)N2CCNCC2)c1Cl
InChIInChI=1S/C19H18Cl2N2S/c20-15-6-3-5-14(18(15)21)19(23-10-8-22-9-11-23)17-12-13-4-1-2-7-16(13)24-17/h1-7,12,19,22H,8-11H2
InChIKeyLQRAZXASBKAMSQ-UHFFFAOYSA-N
MW377.34 g/mol
LogP5.20
Rot. Bonds3

About 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine

1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine (PubChem CID 3742114) has the molecular formula C19H18Cl2N2S and a molecular weight of 377.34 g/mol. Its IUPAC name is 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
PubChem CID3742114
Molecular FormulaC19H18Cl2N2S
Molecular Weight377.34 g/mol
Exact Mass376.06
IUPAC Name1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(C(c2cc3ccccc3s2)N2CCNCC2)c1Cl
InChIInChI=1S/C19H18Cl2N2S/c20-15-6-3-5-14(18(15)21)19(23-10-8-22-9-11-23)17-12-13-4-1-2-7-16(13)24-17/h1-7,12,19,22H,8-11H2
InChIKeyLQRAZXASBKAMSQ-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
CID 3469669
1-[(2,3-dichlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3844646
1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3815507
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3815031
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 4214236
1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
CID 4267301
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine (CID 3742114) is 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine is Clc1cccc(C(c2cc3ccccc3s2)N2CCNCC2)c1Cl.
What is the InChIKey of 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine?
The InChIKey is LQRAZXASBKAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2S/c20-15-6-3-5-14(18(15)21)19(23-10-8-22-9-11-23)17-12-13-4-1-2-7-16(13)24-17/h1-7,12,19,22H,8-11H2.
What are the key properties of 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine?
1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine has a molecular weight of 377.34 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 3742114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).