2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol

C14H22N2O3 — CID 61054508

IUPAC2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
SMILESCCOc1cc(C(CO)N2CCNCC2)ccc1O
InChIInChI=1S/C14H22N2O3/c1-2-19-14-9-11(3-4-13(14)18)12(10-17)16-7-5-15-6-8-16/h3-4,9,12,15,17-18H,2,5-8,10H2,1H3
InChIKeyXMBFPNWGNFKMIS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds5

About 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol

2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol (PubChem CID 61054508) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
PubChem CID61054508
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
SMILESCCOc1cc(C(CO)N2CCNCC2)ccc1O
InChIInChI=1S/C14H22N2O3/c1-2-19-14-9-11(3-4-13(14)18)12(10-17)16-7-5-15-6-8-16/h3-4,9,12,15,17-18H,2,5-8,10H2,1H3
InChIKeyXMBFPNWGNFKMIS-UHFFFAOYSA-N
XLogP0.73
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol?
The IUPAC name of 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol (CID 61054508) is 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol?
The canonical SMILES for 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol is CCOc1cc(C(CO)N2CCNCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol?
The InChIKey is XMBFPNWGNFKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-14-9-11(3-4-13(14)18)12(10-17)16-7-5-15-6-8-16/h3-4,9,12,15,17-18H,2,5-8,10H2,1H3.
What are the key properties of 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol?
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol has a molecular weight of 266.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 61054508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).