[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol

C19H26N2O2S — CID 20750645

IUPAC[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
InChIKeyFHHPURZYJUQVBM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.35
Rot. Bonds6

About [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol

[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol (PubChem CID 20750645) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol
PubChem CID20750645
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
InChIKeyFHHPURZYJUQVBM-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol with MolForge

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Related Compounds

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
1-(3-Methoxyphenyl)-4-(3-thienylmethyl)piperazine
CID 782338
1-(Benzo[b]thiophene-3-yl)-3-[4-(2-methoxyphenyl)piperazino]-1-propanol
CID 9886269
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 10069586
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
1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10621014
3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methyl-thiophen-2-yl)-propan-1-ol
CID 10688951
2-(4-(3-(2,5-Dimethylthiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol
CID 10712619
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-ol
CID 10735345
{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-yl}-methanol
CID 12134995

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol?
The IUPAC name of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol (CID 20750645) is [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol.
What is the SMILES notation for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol?
The canonical SMILES for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol is CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1.
What is the InChIKey of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol?
The InChIKey is FHHPURZYJUQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3.
What are the key properties of [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol?
[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol has a molecular weight of 346.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol is sourced from PubChem (CID 20750645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).