bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate

C19H40N2O3 — CID 156635641

IUPACbis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate
SMILESCC1CC(C)C[N+](C)(C)C1.CC1CC(C)C[N+](C)(C)C1.O=C([O-])[O-]
InChIInChI=1S/2C9H20N.CH2O3/c2*1-8-5-9(2)7-10(3,4)6-8;2-1(3)4/h2*8-9H,5-7H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyUZGHPGAFEGKKJU-UHFFFAOYSA-L
MW344.54 g/mol
LogP1.03
Rot. Bonds

About bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate

bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate (PubChem CID 156635641) has the molecular formula C19H40N2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate.

Molecular Properties

Compound Namebis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate
PubChem CID156635641
Molecular FormulaC19H40N2O3
Molecular Weight344.54 g/mol
Exact Mass344.30
IUPAC Namebis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate
SMILESCC1CC(C)C[N+](C)(C)C1.CC1CC(C)C[N+](C)(C)C1.O=C([O-])[O-]
InChIInChI=1S/2C9H20N.CH2O3/c2*1-8-5-9(2)7-10(3,4)6-8;2-1(3)4/h2*8-9H,5-7H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyUZGHPGAFEGKKJU-UHFFFAOYSA-L
XLogP1.03
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate?
The IUPAC name of bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate (CID 156635641) is bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate.
What is the SMILES notation for bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate?
The canonical SMILES for bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate is CC1CC(C)C[N+](C)(C)C1.CC1CC(C)C[N+](C)(C)C1.O=C([O-])[O-].
What is the InChIKey of bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate?
The InChIKey is UZGHPGAFEGKKJU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H20N.CH2O3/c2*1-8-5-9(2)7-10(3,4)6-8;2-1(3)4/h2*8-9H,5-7H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate?
bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate has a molecular weight of 344.54 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,3,5-tetramethylpiperidin-1-ium);carbonate is sourced from PubChem (CID 156635641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).