2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol

C17H28N2O3 — CID 83979559

IUPAC2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(CO)N2CCNC(C)C2)cc1OC(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)22-17-9-14(5-6-16(17)21-4)15(11-20)19-8-7-18-13(3)10-19/h5-6,9,12-13,15,18,20H,7-8,10-11H2,1-4H3
InChIKeyFYABMGWZMMMECN-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.81
Rot. Bonds6

About 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol

2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol (PubChem CID 83979559) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
PubChem CID83979559
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(CO)N2CCNC(C)C2)cc1OC(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)22-17-9-14(5-6-16(17)21-4)15(11-20)19-8-7-18-13(3)10-19/h5-6,9,12-13,15,18,20H,7-8,10-11H2,1-4H3
InChIKeyFYABMGWZMMMECN-UHFFFAOYSA-N
XLogP1.81
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
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
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol (CID 83979559) is 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol is COc1ccc(C(CO)N2CCNC(C)C2)cc1OC(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The InChIKey is FYABMGWZMMMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)22-17-9-14(5-6-16(17)21-4)15(11-20)19-8-7-18-13(3)10-19/h5-6,9,12-13,15,18,20H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol has a molecular weight of 308.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).