3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol

C18H24N2O2S — CID 10496827

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
InChIKeyYCYJELCQDPWXRJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.00
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol (PubChem CID 10496827) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol
PubChem CID10496827
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
InChIKeyYCYJELCQDPWXRJ-UHFFFAOYSA-N
XLogP3.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol (CID 10496827) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol is COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is YCYJELCQDPWXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 332.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 10496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).