2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol

C16H26N2O3 — CID 83979284

IUPAC2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCCOc1ccc(C(CO)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-21-15-6-5-13(9-16(15)20-3)14(11-19)18-8-7-17-12(2)10-18/h5-6,9,12,14,17,19H,4,7-8,10-11H2,1-3H3
InChIKeySTDSKNALSPQPFS-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.42
Rot. Bonds6

About 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol

2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol (PubChem CID 83979284) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
PubChem CID83979284
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCCOc1ccc(C(CO)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-21-15-6-5-13(9-16(15)20-3)14(11-19)18-8-7-17-12(2)10-18/h5-6,9,12,14,17,19H,4,7-8,10-11H2,1-3H3
InChIKeySTDSKNALSPQPFS-UHFFFAOYSA-N
XLogP1.42
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol 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

2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167191
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol (CID 83979284) is 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol is CCOc1ccc(C(CO)N2CCNC(C)C2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The InChIKey is STDSKNALSPQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-15-6-5-13(9-16(15)20-3)14(11-19)18-8-7-17-12(2)10-18/h5-6,9,12,14,17,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol has a molecular weight of 294.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83979284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).