1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine

C16H20N2OS — CID 782338

IUPAC1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C16H20N2OS/c1-19-16-4-2-3-15(11-16)18-8-6-17(7-9-18)12-14-5-10-20-13-14/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyUBONHTOGHWGNGM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine

1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine (PubChem CID 782338) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine
PubChem CID782338
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C16H20N2OS/c1-19-16-4-2-3-15(11-16)18-8-6-17(7-9-18)12-14-5-10-20-13-14/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyUBONHTOGHWGNGM-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine (CID 782338) is 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine is COc1cccc(N2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine?
The InChIKey is UBONHTOGHWGNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-16-4-2-3-15(11-16)18-8-6-17(7-9-18)12-14-5-10-20-13-14/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine?
1-(3-methoxyphenyl)-4-(thiophen-3-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-(3-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).