1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol

C21H28N2O3 — CID 2938679

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-20(25)17-26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,20,24-25H,10-17H2
InChIKeyVJJSBHUJZYBJOR-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.70
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 2938679) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID2938679
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-20(25)17-26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,20,24-25H,10-17H2
InChIKeyVJJSBHUJZYBJOR-UHFFFAOYSA-N
XLogP1.70
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
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-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol (CID 2938679) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol is OCCN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is VJJSBHUJZYBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-20(25)17-26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-9,20,24-25H,10-17H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 2938679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).