bis(piperidin-1-ium) diacetate

C14H30N2O4 — CID 141266266

IUPACbis(piperidin-1-ium) diacetate
SMILESC1CC[NH2+]CC1.C1CC[NH2+]CC1.CC(=O)[O-].CC(=O)[O-]
InChIInChI=1S/2C5H11N.2C2H4O2/c2*1-2-4-6-5-3-1;2*1-2(3)4/h2*6H,1-5H2;2*1H3,(H,3,4)
InChIKeyJQJLFFCIZURBPI-UHFFFAOYSA-N
MW290.40 g/mol
LogP-3.02
Rot. Bonds

About bis(piperidin-1-ium) diacetate

bis(piperidin-1-ium) diacetate (PubChem CID 141266266) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is bis(piperidin-1-ium) diacetate.

Molecular Properties

Compound Namebis(piperidin-1-ium) diacetate
PubChem CID141266266
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Namebis(piperidin-1-ium) diacetate
SMILESC1CC[NH2+]CC1.C1CC[NH2+]CC1.CC(=O)[O-].CC(=O)[O-]
InChIInChI=1S/2C5H11N.2C2H4O2/c2*1-2-4-6-5-3-1;2*1-2(3)4/h2*6H,1-5H2;2*1H3,(H,3,4)
InChIKeyJQJLFFCIZURBPI-UHFFFAOYSA-N
XLogP-3.02
TPSA113.48 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 ≤ 5-3.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;piperidin-1-ium;acetate;hydroxide
CID 140685864
piperazine-1,4-diium diacetate
CID 139082665
azocan-1-ium;2,2,2-trifluoroacetate
CID 162469038
oxalate;bis(piperazine-1,4-diium);dihydrate
CID 139070011
5-azoniaspiro[4.5]decane acetate
CID 139511127
thiane;acetate
CID 18790032
uranium(4+) tetraacetate
CID 51035191
germanium(4+) tetraacetate
CID 158263361
dicopper diacetate
CID 158276690
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
tricalcium diacetate
CID 19804487

Frequently Asked Questions

What is the IUPAC name of bis(piperidin-1-ium) diacetate?
The IUPAC name of bis(piperidin-1-ium) diacetate (CID 141266266) is bis(piperidin-1-ium) diacetate.
What is the SMILES notation for bis(piperidin-1-ium) diacetate?
The canonical SMILES for bis(piperidin-1-ium) diacetate is C1CC[NH2+]CC1.C1CC[NH2+]CC1.CC(=O)[O-].CC(=O)[O-].
What is the InChIKey of bis(piperidin-1-ium) diacetate?
The InChIKey is JQJLFFCIZURBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.2C2H4O2/c2*1-2-4-6-5-3-1;2*1-2(3)4/h2*6H,1-5H2;2*1H3,(H,3,4).
What are the key properties of bis(piperidin-1-ium) diacetate?
bis(piperidin-1-ium) diacetate has a molecular weight of 290.40 g/mol, XLogP of -3.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperidin-1-ium) diacetate is sourced from PubChem (CID 141266266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).