2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol

C86H194N16O18 — CID 158863346

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol
SMILESCN(CCCO)CCCO.CN(CCO)CCO.CN1C(CO)CCCC1CO.CN1CCC(CO)C1.CN1CCC(CO)C1CO.CN1CCC(CO)CC1.CN1CCC(O)CC1.CN1CCCC(CO)C1.CN1CCCC(CO)C1.CN1CCCC1CO.CN1CCN(CCO)CC1.CN1CCNCC1CO.CNCCN(CCO)CCO
InChIInChI=1S/C8H17NO2.C7H18N2O2.C7H16N2O.C7H15NO2.C7H17NO2.3C7H15NO.C6H14N2O.3C6H13NO.C5H13NO2/c1-9-7(5-10)3-2-4-8(9)6-11;1-8-2-3-9(4-6-10)5-7-11;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-6(4-9)7(8)5-10;1-8(4-2-6-9)5-3-7-10;1-8-4-2-7(6-9)3-5-8;2*1-8-4-2-3-7(5-8)6-9;1-8-3-2-7-4-6(8)5-9;1-7-4-2-6(8)3-5-7;1-7-3-2-6(4-7)5-8;1-7-4-2-3-6(7)5-8;1-6(2-4-7)3-5-8/h7-8,10-11H,2-6H2,1H3;8,10-11H,2-7H2,1H3;10H,2-7H2,1H3;6-7,9-10H,2-5H2,1H3;9-10H,2-7H2,1H3;3*7,9H,2-6H2,1H3;6-7,9H,2-5H2,1H3;3*6,8H,2-5H2,1H3;7-8H,2-5H2,1H3
InChIKeyJAXOHYKMDKFNQH-UHFFFAOYSA-N
MW1740.59 g/mol
LogP-4.66
Rot. Bonds29

About 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol

2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol (PubChem CID 158863346) has the molecular formula C86H194N16O18 and a molecular weight of 1740.59 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol
PubChem CID158863346
Molecular FormulaC86H194N16O18
Molecular Weight1740.59 g/mol
Exact Mass1739.48
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol
SMILESCN(CCCO)CCCO.CN(CCO)CCO.CN1C(CO)CCCC1CO.CN1CCC(CO)C1.CN1CCC(CO)C1CO.CN1CCC(CO)CC1.CN1CCC(O)CC1.CN1CCCC(CO)C1.CN1CCCC(CO)C1.CN1CCCC1CO.CN1CCN(CCO)CC1.CN1CCNCC1CO.CNCCN(CCO)CCO
InChIInChI=1S/C8H17NO2.C7H18N2O2.C7H16N2O.C7H15NO2.C7H17NO2.3C7H15NO.C6H14N2O.3C6H13NO.C5H13NO2/c1-9-7(5-10)3-2-4-8(9)6-11;1-8-2-3-9(4-6-10)5-7-11;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-6(4-9)7(8)5-10;1-8(4-2-6-9)5-3-7-10;1-8-4-2-7(6-9)3-5-8;2*1-8-4-2-3-7(5-8)6-9;1-8-3-2-7-4-6(8)5-9;1-7-4-2-6(8)3-5-7;1-7-3-2-6(4-7)5-8;1-7-4-2-3-6(7)5-8;1-6(2-4-7)3-5-8/h7-8,10-11H,2-6H2,1H3;8,10-11H,2-7H2,1H3;10H,2-7H2,1H3;6-7,9-10H,2-5H2,1H3;9-10H,2-7H2,1H3;3*7,9H,2-6H2,1H3;6-7,9H,2-5H2,1H3;3*6,8H,2-5H2,1H3;7-8H,2-5H2,1H3
InChIKeyJAXOHYKMDKFNQH-UHFFFAOYSA-N
XLogP-4.66
TPSA433.56 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.59
LogP ≤ 5-4.66
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol (CID 158863346) is 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol is CN(CCCO)CCCO.CN(CCO)CCO.CN1C(CO)CCCC1CO.CN1CCC(CO)C1.CN1CCC(CO)C1CO.CN1CCC(CO)CC1.CN1CCC(O)CC1.CN1CCCC(CO)C1.CN1CCCC(CO)C1.CN1CCCC1CO.CN1CCN(CCO)CC1.CN1CCNCC1CO.CNCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol?
The InChIKey is JAXOHYKMDKFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C7H18N2O2.C7H16N2O.C7H15NO2.C7H17NO2.3C7H15NO.C6H14N2O.3C6H13NO.C5H13NO2/c1-9-7(5-10)3-2-4-8(9)6-11;1-8-2-3-9(4-6-10)5-7-11;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-6(4-9)7(8)5-10;1-8(4-2-6-9)5-3-7-10;1-8-4-2-7(6-9)3-5-8;2*1-8-4-2-3-7(5-8)6-9;1-8-3-2-7-4-6(8)5-9;1-7-4-2-6(8)3-5-7;1-7-3-2-6(4-7)5-8;1-7-4-2-3-6(7)5-8;1-6(2-4-7)3-5-8/h7-8,10-11H,2-6H2,1H3;8,10-11H,2-7H2,1H3;10H,2-7H2,1H3;6-7,9-10H,2-5H2,1H3;9-10H,2-7H2,1H3;3*7,9H,2-6H2,1H3;6-7,9H,2-5H2,1H3;3*6,8H,2-5H2,1H3;7-8H,2-5H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol?
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol has a molecular weight of 1740.59 g/mol, XLogP of -4.66, 29 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanol;2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol;[6-(hydroxymethyl)-1-methylpiperidin-2-yl]methanol;[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;3-[3-hydroxypropyl(methyl)amino]propan-1-ol;2-(4-methylpiperazin-1-yl)ethanol;(1-methylpiperazin-2-yl)methanol;1-methylpiperidin-4-ol;bis((1-methylpiperidin-3-yl)methanol);(1-methylpiperidin-4-yl)methanol;(1-methylpyrrolidin-2-yl)methanol;(1-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 158863346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).