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

C21H28N2O3 — CID 43842332

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-19(25)17-26-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19,24-25H,10-17H2
InChIKeyQORJGFMQASCGDC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.70
Rot. Bonds8

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol (PubChem CID 43842332) 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-(2-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
PubChem CID43842332
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-19(25)17-26-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19,24-25H,10-17H2
InChIKeyQORJGFMQASCGDC-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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
CID 45200033
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3522870
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842329
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16806863
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol (CID 43842332) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol is OCCN1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol?
The InChIKey is QORJGFMQASCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-15-14-22-10-12-23(13-11-22)16-19(25)17-26-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19,24-25H,10-17H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-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-(2-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 43842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).