2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol

C15H24N2O3 — CID 83978276

IUPAC2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(CO)N2CCNCC2C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-11-9-16-6-7-17(11)13(10-18)12-4-5-14(19-2)15(8-12)20-3/h4-5,8,11,13,16,18H,6-7,9-10H2,1-3H3
InChIKeyQQIKMDYZYFAHQU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol

2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol (PubChem CID 83978276) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
PubChem CID83978276
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
SMILESCOc1ccc(C(CO)N2CCNCC2C)cc1OC
InChIInChI=1S/C15H24N2O3/c1-11-9-16-6-7-17(11)13(10-18)12-4-5-14(19-2)15(8-12)20-3/h4-5,8,11,13,16,18H,6-7,9-10H2,1-3H3
InChIKeyQQIKMDYZYFAHQU-UHFFFAOYSA-N
XLogP1.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979306
(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-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
2-[3-[(4-methylphenyl)methoxy]phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83979295
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol (CID 83978276) is 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol is COc1ccc(C(CO)N2CCNCC2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The InChIKey is QQIKMDYZYFAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-9-16-6-7-17(11)13(10-18)12-4-5-14(19-2)15(8-12)20-3/h4-5,8,11,13,16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).