1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine

C17H22N2OS — CID 792460

IUPAC1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H22N2OS/c1-2-20-17-8-4-3-7-16(17)19-11-9-18(10-12-19)14-15-6-5-13-21-15/h3-8,13H,2,9-12,14H2,1H3
InChIKeyHDONYUOCHXODQS-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine

1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 792460) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID792460
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H22N2OS/c1-2-20-17-8-4-3-7-16(17)19-11-9-18(10-12-19)14-15-6-5-13-21-15/h3-8,13H,2,9-12,14H2,1H3
InChIKeyHDONYUOCHXODQS-UHFFFAOYSA-N
XLogP3.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 655269
1-(3-Methoxyphenyl)-4-(3-thienylmethyl)piperazine
CID 782338
1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
CID 1376848
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-ol
CID 10570535
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-one
CID 10616442
3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methyl-thiophen-2-yl)-propan-1-ol
CID 10688951

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 792460) is 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine is CCOc1ccccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is HDONYUOCHXODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-20-17-8-4-3-7-16(17)19-11-9-18(10-12-19)14-15-6-5-13-21-15/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 302.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 792460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).