2,2-di(piperidin-1-yl)ethyl hydrogen carbonate

C13H24N2O3 — CID 54267131

IUPAC2,2-di(piperidin-1-yl)ethyl hydrogen carbonate
SMILESO=C(O)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O3/c16-13(17)18-11-12(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h12H,1-11H2,(H,16,17)
InChIKeyRHOAIIMRVOFMFW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.98
Rot. Bonds4

About 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate

2,2-di(piperidin-1-yl)ethyl hydrogen carbonate (PubChem CID 54267131) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2,2-di(piperidin-1-yl)ethyl hydrogen carbonate
PubChem CID54267131
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,2-di(piperidin-1-yl)ethyl hydrogen carbonate
SMILESO=C(O)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O3/c16-13(17)18-11-12(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h12H,1-11H2,(H,16,17)
InChIKeyRHOAIIMRVOFMFW-UHFFFAOYSA-N
XLogP1.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate?
The IUPAC name of 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate (CID 54267131) is 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate.
What is the SMILES notation for 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate?
The canonical SMILES for 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate is O=C(O)OCC(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate?
The InChIKey is RHOAIIMRVOFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-13(17)18-11-12(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h12H,1-11H2,(H,16,17).
What are the key properties of 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate?
2,2-di(piperidin-1-yl)ethyl hydrogen carbonate has a molecular weight of 256.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(piperidin-1-yl)ethyl hydrogen carbonate is sourced from PubChem (CID 54267131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).