2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride

C11H22Cl2N2O5 — CID 67573552

IUPAC2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
SMILESCl.Cl.O=C(O)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5.2ClH/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13;;/h10H,1-9H2,(H,14,15);2*1H
InChIKeySCUSZOMRPIXOJW-UHFFFAOYSA-N
MW333.21 g/mol
LogP0.52
Rot. Bonds4

About 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride

2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride (PubChem CID 67573552) has the molecular formula C11H22Cl2N2O5 and a molecular weight of 333.21 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
PubChem CID67573552
Molecular FormulaC11H22Cl2N2O5
Molecular Weight333.21 g/mol
Exact Mass332.09
IUPAC Name2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
SMILESCl.Cl.O=C(O)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O5.2ClH/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13;;/h10H,1-9H2,(H,14,15);2*1H
InChIKeySCUSZOMRPIXOJW-UHFFFAOYSA-N
XLogP0.52
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-acetyloxy-3-carboxyoxypropan-2-yl) 2-morpholin-4-ylacetate
CID 70793772
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
CID 11436688
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
fluoro 2-morpholin-4-ylpropanoate
CID 169191902
3,3-dimorpholin-4-ylpropane-1-sulfonic acid
CID 174593846
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078

Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The IUPAC name of 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride (CID 67573552) is 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride.
What is the SMILES notation for 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The canonical SMILES for 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride is Cl.Cl.O=C(O)OCC(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
The InChIKey is SCUSZOMRPIXOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5.2ClH/c14-11(15)18-9-10(12-1-5-16-6-2-12)13-3-7-17-8-4-13;;/h10H,1-9H2,(H,14,15);2*1H.
What are the key properties of 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride?
2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride has a molecular weight of 333.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride is sourced from PubChem (CID 67573552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).