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

C15H26N2O3+2 — CID 2223714

IUPAC2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
SMILESCOc1cccc(C[NH+]2CC[NH+](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/p+2
InChIKeyGCMSGOVSDQHNTO-UHFFFAOYSA-P
MW282.38 g/mol
LogP-2.02
Rot. Bonds6

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

2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol (PubChem CID 2223714) has the molecular formula C15H26N2O3+2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
PubChem CID2223714
Molecular FormulaC15H26N2O3+2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
SMILESCOc1cccc(C[NH+]2CC[NH+](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/p+2
InChIKeyGCMSGOVSDQHNTO-UHFFFAOYSA-P
XLogP-2.02
TPSA47.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine-1,4-diium
CID 6941232
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 7405993
1-[(2S)-butan-2-yl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6948174
1-[(3-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6981648
1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755145
1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one
CID 3325173
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 11897053
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone
CID 7334881
1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948179
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 9127804
1-[(2,3-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide
CID 6966263
1-[(2-chlorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol (CID 2223714) is 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol is COc1cccc(C[NH+]2CC[NH+](CCO)CC2)c1OC.
What is the InChIKey of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol?
The InChIKey is GCMSGOVSDQHNTO-UHFFFAOYSA-P. 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/p+2.
What are the key properties of 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol?
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol has a molecular weight of 282.38 g/mol, XLogP of -2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol is sourced from PubChem (CID 2223714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).