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

C16H20N2OS — CID 763703

IUPAC1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H20N2OS/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14/h2-7,12H,8-11,13H2,1H3
InChIKeyRAESXBFIEGXDCZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds4

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

1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763703) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763703
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H20N2OS/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14/h2-7,12H,8-11,13H2,1H3
InChIKeyRAESXBFIEGXDCZ-UHFFFAOYSA-N
XLogP3.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(2-methoxyphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210274
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
CID 23627892
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026015
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine (CID 763703) is 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine is COc1ccccc1N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is RAESXBFIEGXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine?
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 288.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).