bis(1-methylpiperidin-1-ium) diformate

C14H30N2O4 — CID 134716274

IUPACbis(1-methylpiperidin-1-ium) diformate
SMILESC[NH+]1CCCCC1.C[NH+]1CCCCC1.O=C[O-].O=C[O-]
InChIInChI=1S/2C6H13N.2CH2O2/c2*1-7-5-3-2-4-6-7;2*2-1-3/h2*2-6H2,1H3;2*1H,(H,2,3)
InChIKeyCGJZYUANIFWAQI-UHFFFAOYSA-N
MW290.40 g/mol
LogP-3.90
Rot. Bonds

About bis(1-methylpiperidin-1-ium) diformate

bis(1-methylpiperidin-1-ium) diformate (PubChem CID 134716274) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is bis(1-methylpiperidin-1-ium) diformate.

Molecular Properties

Compound Namebis(1-methylpiperidin-1-ium) diformate
PubChem CID134716274
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Namebis(1-methylpiperidin-1-ium) diformate
SMILESC[NH+]1CCCCC1.C[NH+]1CCCCC1.O=C[O-].O=C[O-]
InChIInChI=1S/2C6H13N.2CH2O2/c2*1-7-5-3-2-4-6-7;2*2-1-3/h2*2-6H2,1H3;2*1H,(H,2,3)
InChIKeyCGJZYUANIFWAQI-UHFFFAOYSA-N
XLogP-3.90
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-3.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(piperidin-1-ium);carbonate
CID 69100409
Piperidin-1-ylmethyl formate
CID 123375433
Bis(piperidin-1-ium) diacetate
CID 141266266
Carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde
CID 167627373
Methyl formate;1-pentylpiperazine
CID 170976052

Frequently Asked Questions

What is the IUPAC name of bis(1-methylpiperidin-1-ium) diformate?
The IUPAC name of bis(1-methylpiperidin-1-ium) diformate (CID 134716274) is bis(1-methylpiperidin-1-ium) diformate.
What is the SMILES notation for bis(1-methylpiperidin-1-ium) diformate?
The canonical SMILES for bis(1-methylpiperidin-1-ium) diformate is C[NH+]1CCCCC1.C[NH+]1CCCCC1.O=C[O-].O=C[O-].
What is the InChIKey of bis(1-methylpiperidin-1-ium) diformate?
The InChIKey is CGJZYUANIFWAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.2CH2O2/c2*1-7-5-3-2-4-6-7;2*2-1-3/h2*2-6H2,1H3;2*1H,(H,2,3).
What are the key properties of bis(1-methylpiperidin-1-ium) diformate?
bis(1-methylpiperidin-1-ium) diformate has a molecular weight of 290.40 g/mol, XLogP of -3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpiperidin-1-ium) diformate is sourced from PubChem (CID 134716274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).