1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine

C20H21FN2OS — CID 5193096

IUPAC1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C20H21FN2OS/c1-24-18-7-6-14(21)12-16(18)20(23-10-8-22-9-11-23)17-13-25-19-5-3-2-4-15(17)19/h2-7,12-13,20,22H,8-11H2,1H3
InChIKeyXMVNQIOUGJDLSY-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.04
Rot. Bonds4

About 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine

1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 5193096) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID5193096
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(F)cc1C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C20H21FN2OS/c1-24-18-7-6-14(21)12-16(18)20(23-10-8-22-9-11-23)17-13-25-19-5-3-2-4-15(17)19/h2-7,12-13,20,22H,8-11H2,1H3
InChIKeyXMVNQIOUGJDLSY-UHFFFAOYSA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4669160
1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3935923
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5204411
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine (CID 5193096) is 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine is COc1ccc(F)cc1C(c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is XMVNQIOUGJDLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-24-18-7-6-14(21)12-16(18)20(23-10-8-22-9-11-23)17-13-25-19-5-3-2-4-15(17)19/h2-7,12-13,20,22H,8-11H2,1H3.
What are the key properties of 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 356.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5193096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).