1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate

C12H21NO2 — CID 7258886

IUPAC1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C12H21NO2/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,(H,14,15)
InChIKeyOOEYLDSNYUXWGT-UHFFFAOYSA-N
MW211.30 g/mol
LogP-0.49
Rot. Bonds2

About 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate

1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate (PubChem CID 7258886) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate
PubChem CID7258886
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C12H21NO2/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,(H,14,15)
InChIKeyOOEYLDSNYUXWGT-UHFFFAOYSA-N
XLogP-0.49
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tris(cyclohexane-1,1-dicarboxylate);molybdenum
CID 173220469
bis(1-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604917
copper cyclobutane-1,1-dicarboxylate
CID 70616002
zinc cyclobutane-1,1-dicarboxylate
CID 175896240
azepane;1-azoniabicyclo[3.2.0]heptan-5-yl(cyclopentyl)methanone
CID 173118349
oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)
CID 178184441
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
calcium;cyclohexane;carbonate
CID 163512778
azane;bis(1-carboxycyclobutane-1-carboxylate);platinum(2+)
CID 10301374
1,2-diethylcyclohexane-1,2-dicarboxylate
CID 58183367
(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium
CID 6993691
cyclohexane-1,1,2,2,3,3-hexacarboxylate
CID 18515415

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate?
The IUPAC name of 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate (CID 7258886) is 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate is O=C([O-])C1([NH+]2CCCCC2)CCCCC1.
What is the InChIKey of 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate?
The InChIKey is OOEYLDSNYUXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,(H,14,15).
What are the key properties of 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate?
1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ium-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 7258886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).