2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C20H34N2O3 — CID 45201049

IUPAC2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(CCC(C)C)C(CCO)C2)c1OC
InChIInChI=1S/C20H34N2O3/c1-16(2)8-10-22-12-11-21(15-18(22)9-13-23)14-17-6-5-7-19(24-3)20(17)25-4/h5-7,16,18,23H,8-15H2,1-4H3
InChIKeyBOQIVBYHWOTKLB-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.62
Rot. Bonds9

About 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45201049) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45201049
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(CCC(C)C)C(CCO)C2)c1OC
InChIInChI=1S/C20H34N2O3/c1-16(2)8-10-22-12-11-21(15-18(22)9-13-23)14-17-6-5-7-19(24-3)20(17)25-4/h5-7,16,18,23H,8-15H2,1-4H3
InChIKeyBOQIVBYHWOTKLB-UHFFFAOYSA-N
XLogP2.62
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45193918
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45190546
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45204394
2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45239360
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 70768891
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45201049) is 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is COc1cccc(CN2CCN(CCC(C)C)C(CCO)C2)c1OC.
What is the InChIKey of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is BOQIVBYHWOTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-16(2)8-10-22-12-11-21(15-18(22)9-13-23)14-17-6-5-7-19(24-3)20(17)25-4/h5-7,16,18,23H,8-15H2,1-4H3.
What are the key properties of 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 350.50 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45201049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).