3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol

C19H26N2O2S — CID 10688951

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3
InChIKeyIMZCHCXDRQUXNY-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.31
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 10688951) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID10688951
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3
InChIKeyIMZCHCXDRQUXNY-UHFFFAOYSA-N
XLogP3.31
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.31
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-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol (CID 10688951) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol is COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is IMZCHCXDRQUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)propan-1-ol has a molecular weight of 346.50 g/mol, XLogP of 3.31, 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-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 10688951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).