1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine

C21H26N2OS2 — CID 139810822

IUPAC1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine
SMILESc1csc(CN2CCN(CCOCCc3ccc4sccc4c3)CC2)c1
InChIInChI=1S/C21H26N2OS2/c1-2-20(25-14-1)17-23-9-7-22(8-10-23)11-13-24-12-5-18-3-4-21-19(16-18)6-15-26-21/h1-4,6,14-16H,5,7-13,17H2
InChIKeyBXZVQFZJJHPBPA-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.34
Rot. Bonds8

About 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine

1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 139810822) has the molecular formula C21H26N2OS2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine
PubChem CID139810822
Molecular FormulaC21H26N2OS2
Molecular Weight386.59 g/mol
Exact Mass386.15
IUPAC Name1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine
SMILESc1csc(CN2CCN(CCOCCc3ccc4sccc4c3)CC2)c1
InChIInChI=1S/C21H26N2OS2/c1-2-20(25-14-1)17-23-9-7-22(8-10-23)11-13-24-12-5-18-3-4-21-19(16-18)6-15-26-21/h1-4,6,14-16H,5,7-13,17H2
InChIKeyBXZVQFZJJHPBPA-UHFFFAOYSA-N
XLogP4.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-[3-(4-methoxyphenyl)propyl]piperazine
CID 139810904
1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810877
[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]pyrrolidin-3-yl]carbamic acid
CID 86597344
(3S)-1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]pyrrolidin-3-ol
CID 58680084
N-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-1-benzyl-N-ethylpyrrolidin-3-amine
CID 139810911
3-[2-(1-benzothiophen-5-yl)ethoxy]-1-(3-methylazetidin-1-yl)propan-1-one;1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-methylazetidine;oxalic acid
CID 157227874
1-(1-benzothiophen-5-yl)-2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethoxy]ethanol
CID 139810907
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
(3R)-1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]pyrrolidin-3-ol;oxalic acid
CID 66588433
1-[(E)-3-[2-(1-benzothiophen-5-yl)ethoxy]prop-1-enyl]piperidin-4-ol
CID 163965973
1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
CID 141030590
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine (CID 139810822) is 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine is c1csc(CN2CCN(CCOCCc3ccc4sccc4c3)CC2)c1.
What is the InChIKey of 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is BXZVQFZJJHPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-2-20(25-14-1)17-23-9-7-22(8-10-23)11-13-24-12-5-18-3-4-21-19(16-18)6-15-26-21/h1-4,6,14-16H,5,7-13,17H2.
What are the key properties of 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine?
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 386.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 139810822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).