(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol

C16H26N2O3 — CID 737489

IUPAC(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCCN1CCN(C[C@@H](O)COc2cccc(OC)c2)CC1
InChIInChI=1S/C16H26N2O3/c1-3-17-7-9-18(10-8-17)12-14(19)13-21-16-6-4-5-15(11-16)20-2/h4-6,11,14,19H,3,7-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQQWBSPJJCODTEG-CQSZACIVSA-N
MW294.39 g/mol
LogP1.07
Rot. Bonds7

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

(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 737489) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID737489
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCCN1CCN(C[C@@H](O)COc2cccc(OC)c2)CC1
InChIInChI=1S/C16H26N2O3/c1-3-17-7-9-18(10-8-17)12-14(19)13-21-16-6-4-5-15(11-16)20-2/h4-6,11,14,19H,3,7-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQQWBSPJJCODTEG-CQSZACIVSA-N
XLogP1.07
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)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

(2S)-1-(4-ethylpiperazin-1-yl)-3-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 92641169
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 4729498
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
ethyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
CID 86977623
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol (CID 737489) is (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol is CCN1CCN(C[C@@H](O)COc2cccc(OC)c2)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is QQWBSPJJCODTEG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-17-7-9-18(10-8-17)12-14(19)13-21-16-6-4-5-15(11-16)20-2/h4-6,11,14,19H,3,7-10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol?
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 737489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).