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

C15H24N2O3 — CID 2223715

IUPAC2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(CN2CCN(CCO)CC2)c1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-5-3-4-13(15(14)20-2)12-17-8-6-16(7-9-17)10-11-18/h3-5,18H,6-12H2,1-2H3
InChIKeyGCMSGOVSDQHNTO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.81
Rot. Bonds6

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

2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 2223715) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID2223715
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(CN2CCN(CCO)CC2)c1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-5-3-4-13(15(14)20-2)12-17-8-6-16(7-9-17)10-11-18/h3-5,18H,6-12H2,1-2H3
InChIKeyGCMSGOVSDQHNTO-UHFFFAOYSA-N
XLogP0.81
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
4-bromo-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148381
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3522870

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol (CID 2223715) is 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol is COc1cccc(CN2CCN(CCO)CC2)c1OC.
What is the InChIKey of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is GCMSGOVSDQHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-14-5-3-4-13(15(14)20-2)12-17-8-6-16(7-9-17)10-11-18/h3-5,18H,6-12H2,1-2H3.
What are the key properties of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 0.81, 6 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]piperazin-1-yl]ethanol is sourced from PubChem (CID 2223715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).