1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C21H28N2O2 — CID 3578916

IUPAC1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-20(24)17-25-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-11,20,24H,2,12-17H2,1H3
InChIKeyXMLAJGLNEGGCFV-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.73
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 3578916) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID3578916
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-20(24)17-25-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-11,20,24H,2,12-17H2,1H3
InChIKeyXMLAJGLNEGGCFV-UHFFFAOYSA-N
XLogP2.73
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 43364508
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 51312086

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 3578916) is 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is CCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is XMLAJGLNEGGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-20(24)17-25-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-11,20,24H,2,12-17H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 3578916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).