1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine

C21H24N2OS — CID 11451022

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C21H24N2OS/c1-2-24-20-9-5-4-8-19(20)23-13-11-22(12-14-23)15-17-16-25-21-10-6-3-7-18(17)21/h3-10,16H,2,11-15H2,1H3
InChIKeyIQRVICMQFUJBJE-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.62
Rot. Bonds5

About 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine

1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine (PubChem CID 11451022) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
PubChem CID11451022
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C21H24N2OS/c1-2-24-20-9-5-4-8-19(20)23-13-11-22(12-14-23)15-17-16-25-21-10-6-3-7-18(17)21/h3-10,16H,2,11-15H2,1H3
InChIKeyIQRVICMQFUJBJE-UHFFFAOYSA-N
XLogP4.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 162646896
1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 9842861
1-(Benzo[b]thiophene-3-yl)-3-[4-(2-methoxyphenyl)piperazino]-1-propanol
CID 9886269
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 10069586
1-(2-Methoxyphenyl)-4-(3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propyl)piperazine
CID 10095692
1-(1-Benzothiophen-3-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propan-1-ol
CID 10319395
1-(Benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl)propan-1-one
CID 10572945
2-(4-(3-(Benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol
CID 10619048
1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10621014
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-ol
CID 10735345
1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)piperazin-1-yl)propan-1-ol
CID 11091176
1-(2-Methoxyphenyl)-4-(2-thienylmethyl)piperazine
CID 763703

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine (CID 11451022) is 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The InChIKey is IQRVICMQFUJBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-2-24-20-9-5-4-8-19(20)23-13-11-22(12-14-23)15-17-16-25-21-10-6-3-7-18(17)21/h3-10,16H,2,11-15H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine has a molecular weight of 352.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 11451022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).