2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol

C19H26N2O2S — CID 10712619

IUPAC2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol
SMILESCc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1
InChIInChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3
InChIKeyILEHGFRGCDSQNV-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol

2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol (PubChem CID 10712619) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol
PubChem CID10712619
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol
SMILESCc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1
InChIInChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3
InChIKeyILEHGFRGCDSQNV-UHFFFAOYSA-N
XLogP3.32
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-ol
CID 10570535
2-(4-(3-(Benzo[b]thiophen-3-yl)-3-hydroxypropyl)piperazin-1-yl)phenol
CID 10619048
3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methyl-thiophen-2-yl)-propan-1-ol
CID 10688951
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
2-{4-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperazin-1-yl}phenol
CID 1520542
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-ol
CID 10496827
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-hydroxyphenyl)piperazin-1-yl)propan-1-one
CID 10831313
{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-yl}-methanol
CID 20750645
3-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol
CID 46886853
2-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]phenol
CID 72164181
1-Piperazineethanol, 4-(2-methylphenyl)-alpha-2-thienyl-, hydrochloride (1:1)
CID 3042151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol (CID 10712619) is 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol is Cc1cc(C(O)CCN2CCN(c3ccccc3O)CC2)c(C)s1.
What is the InChIKey of 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol?
The InChIKey is ILEHGFRGCDSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3.
What are the key properties of 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol?
2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol has a molecular weight of 346.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol is sourced from PubChem (CID 10712619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).