2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol

C17H28N2O2 — CID 63633648

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCCN1CCN(CC(O)c2cc(C)ccc2OC)CC1C
InChIInChI=1S/C17H28N2O2/c1-5-19-9-8-18(11-14(19)3)12-16(20)15-10-13(2)6-7-17(15)21-4/h6-7,10,14,16,20H,5,8-9,11-12H2,1-4H3
InChIKeyZLRXLCSJRGFSGG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.06
Rot. Bonds5

About 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol

2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 63633648) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID63633648
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCCN1CCN(CC(O)c2cc(C)ccc2OC)CC1C
InChIInChI=1S/C17H28N2O2/c1-5-19-9-8-18(11-14(19)3)12-16(20)15-10-13(2)6-7-17(15)21-4/h6-7,10,14,16,20H,5,8-9,11-12H2,1-4H3
InChIKeyZLRXLCSJRGFSGG-UHFFFAOYSA-N
XLogP2.06
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 115667609
2-(2,5-dimethylmorpholin-4-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60969872
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107521195
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methoxyphenyl]boronic acid
CID 63635021
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 63609080
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol (CID 63633648) is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol is CCN1CCN(CC(O)c2cc(C)ccc2OC)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is ZLRXLCSJRGFSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-19-9-8-18(11-14(19)3)12-16(20)15-10-13(2)6-7-17(15)21-4/h6-7,10,14,16,20H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 63633648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).