1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol

C19H26N4O2 — CID 110891465

IUPAC1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-16-3-5-18(6-4-16)25-15-17(24)14-22-9-11-23(12-10-22)19-13-20-7-8-21-19/h3-8,13,17,24H,2,9-12,14-15H2,1H3
InChIKeyCPGDMELWCNGILO-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.60
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol

1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 110891465) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID110891465
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-16-3-5-18(6-4-16)25-15-17(24)14-22-9-11-23(12-10-22)19-13-20-7-8-21-19/h3-8,13,17,24H,2,9-12,14-15H2,1H3
InChIKeyCPGDMELWCNGILO-UHFFFAOYSA-N
XLogP1.60
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45183300
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
4-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]benzonitrile
CID 93251377
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol (CID 110891465) is 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol is CCc1ccc(OCC(O)CN2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is CPGDMELWCNGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-16-3-5-18(6-4-16)25-15-17(24)14-22-9-11-23(12-10-22)19-13-20-7-8-21-19/h3-8,13,17,24H,2,9-12,14-15H2,1H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol?
1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 110891465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).