1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine

C20H22N2OS — CID 3469669

IUPAC1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1cc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C20H22N2OS/c1-23-17-8-4-3-7-16(17)20(22-12-10-21-11-13-22)19-14-15-6-2-5-9-18(15)24-19/h2-9,14,20-21H,10-13H2,1H3
InChIKeyMVCOLGXHKUWEHY-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.90
Rot. Bonds4

About 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine

1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine (PubChem CID 3469669) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
PubChem CID3469669
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1C(c1cc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C20H22N2OS/c1-23-17-8-4-3-7-16(17)20(22-12-10-21-11-13-22)19-14-15-6-2-5-9-18(15)24-19/h2-9,14,20-21H,10-13H2,1H3
InChIKeyMVCOLGXHKUWEHY-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3815031
1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3815507
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
CID 3742114
1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3831048
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785
1-[(2-methoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 4315343
1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 4214236
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine (CID 3469669) is 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1C(c1cc2ccccc2s1)N1CCNCC1.
What is the InChIKey of 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is MVCOLGXHKUWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-23-17-8-4-3-7-16(17)20(22-12-10-21-11-13-22)19-14-15-6-2-5-9-18(15)24-19/h2-9,14,20-21H,10-13H2,1H3.
What are the key properties of 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine?
1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 338.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3469669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).