sodium;piperidin-1-ium;acetate;hydroxide

C7H16NNaO3 — CID 140685864

IUPACsodium;piperidin-1-ium;acetate;hydroxide
SMILESC1CC[NH2+]CC1.CC(=O)[O-].[Na+].[OH-]
InChIInChI=1S/C5H11N.C2H4O2.Na.H2O/c1-2-4-6-5-3-1;1-2(3)4;;/h6H,1-5H2;1H3,(H,3,4);;1H2/q;;+1;/p-1
InChIKeyQFAXXACFMSFVLV-UHFFFAOYSA-M
MW185.20 g/mol
LogP-4.68
Rot. Bonds

About sodium;piperidin-1-ium;acetate;hydroxide

sodium;piperidin-1-ium;acetate;hydroxide (PubChem CID 140685864) has the molecular formula C7H16NNaO3 and a molecular weight of 185.20 g/mol. Its IUPAC name is sodium;piperidin-1-ium;acetate;hydroxide.

Molecular Properties

Compound Namesodium;piperidin-1-ium;acetate;hydroxide
PubChem CID140685864
Molecular FormulaC7H16NNaO3
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Namesodium;piperidin-1-ium;acetate;hydroxide
SMILESC1CC[NH2+]CC1.CC(=O)[O-].[Na+].[OH-]
InChIInChI=1S/C5H11N.C2H4O2.Na.H2O/c1-2-4-6-5-3-1;1-2(3)4;;/h6H,1-5H2;1H3,(H,3,4);;1H2/q;;+1;/p-1
InChIKeyQFAXXACFMSFVLV-UHFFFAOYSA-M
XLogP-4.68
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-4.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(piperidin-1-ium) diacetate
CID 141266266
piperazine-1,4-diium diacetate
CID 139082665
nonasodium;nonaacetate
CID 173443222
trisodium;hydrogen carbonate;acetate;hydroxide
CID 169079975
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
tetrasodium;tetraacetate;hydrate
CID 141360802
manganese(2+);acetate;hydroxide
CID 56943305
bis(zirconium(4+));acetate;hydroxide
CID 172795489
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404
piperidin-1-ium;bis(rubidium(1+))
CID 153447813
trisodium;acetate;carbonate
CID 169079974

Frequently Asked Questions

What is the IUPAC name of sodium;piperidin-1-ium;acetate;hydroxide?
The IUPAC name of sodium;piperidin-1-ium;acetate;hydroxide (CID 140685864) is sodium;piperidin-1-ium;acetate;hydroxide.
What is the SMILES notation for sodium;piperidin-1-ium;acetate;hydroxide?
The canonical SMILES for sodium;piperidin-1-ium;acetate;hydroxide is C1CC[NH2+]CC1.CC(=O)[O-].[Na+].[OH-].
What is the InChIKey of sodium;piperidin-1-ium;acetate;hydroxide?
The InChIKey is QFAXXACFMSFVLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N.C2H4O2.Na.H2O/c1-2-4-6-5-3-1;1-2(3)4;;/h6H,1-5H2;1H3,(H,3,4);;1H2/q;;+1;/p-1.
What are the key properties of sodium;piperidin-1-ium;acetate;hydroxide?
sodium;piperidin-1-ium;acetate;hydroxide has a molecular weight of 185.20 g/mol, XLogP of -4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;piperidin-1-ium;acetate;hydroxide is sourced from PubChem (CID 140685864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).