1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide

C13H24F6N2O6S2 — CID 134716478

IUPAC1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide
SMILESCOCC[N+]1(CCOC)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H24NO2.C2F6NO4S2/c1-13-10-8-12(9-11-14-2)6-4-3-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1
InChIKeyDUMFAJJVTFUKSR-UHFFFAOYSA-N
MW482.47 g/mol
LogP2.34
Rot. Bonds8

About 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide

1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide (PubChem CID 134716478) has the molecular formula C13H24F6N2O6S2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide
PubChem CID134716478
Molecular FormulaC13H24F6N2O6S2
Molecular Weight482.47 g/mol
Exact Mass482.10
IUPAC Name1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide
SMILESCOCC[N+]1(CCOC)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H24NO2.C2F6NO4S2/c1-13-10-8-12(9-11-14-2)6-4-3-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1
InChIKeyDUMFAJJVTFUKSR-UHFFFAOYSA-N
XLogP2.34
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
1-(3-Methoxypropyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 54613449
N-methoxyethyl-N-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 11247660
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
N-methyl,ethyl-Morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 129830264
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
N-(2-methoxyethyl)-N-methylazepanium bis(trifluoromethylsulfonyl)amide
CID 134716440
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
N-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
4-(2-Ethoxyethyl)-methylmorpholinium bis(trifluoromethanesulfonyl)imide
CID 141086912

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The IUPAC name of 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide (CID 134716478) is 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide is COCC[N+]1(CCOC)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
The InChIKey is DUMFAJJVTFUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2.C2F6NO4S2/c1-13-10-8-12(9-11-14-2)6-4-3-5-7-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1.
What are the key properties of 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide?
1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide has a molecular weight of 482.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)piperidin-1-ium;bis(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 134716478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).