hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine

C8H18N2O3 — CID 118036893

IUPAChydrogen carbonate;2-piperidin-1-ium-1-ylethanamine
SMILESNCC[NH+]1CCCCC1.O=C([O-])O
InChIInChI=1S/C7H16N2.CH2O3/c8-4-7-9-5-2-1-3-6-9;2-1(3)4/h1-8H2;(H2,2,3,4)
InChIKeyROPUGYRQIDBXMO-UHFFFAOYSA-N
MW190.24 g/mol
LogP-2.10
Rot. Bonds2

About hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine

hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine (PubChem CID 118036893) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine.

Molecular Properties

Compound Namehydrogen carbonate;2-piperidin-1-ium-1-ylethanamine
PubChem CID118036893
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Namehydrogen carbonate;2-piperidin-1-ium-1-ylethanamine
SMILESNCC[NH+]1CCCCC1.O=C([O-])O
InChIInChI=1S/C7H16N2.CH2O3/c8-4-7-9-5-2-1-3-6-9;2-1(3)4/h1-8H2;(H2,2,3,4)
InChIKeyROPUGYRQIDBXMO-UHFFFAOYSA-N
XLogP-2.10
TPSA90.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine?
The IUPAC name of hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine (CID 118036893) is hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine.
What is the SMILES notation for hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine?
The canonical SMILES for hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine is NCC[NH+]1CCCCC1.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine?
The InChIKey is ROPUGYRQIDBXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.CH2O3/c8-4-7-9-5-2-1-3-6-9;2-1(3)4/h1-8H2;(H2,2,3,4).
What are the key properties of hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine?
hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine has a molecular weight of 190.24 g/mol, XLogP of -2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;2-piperidin-1-ium-1-ylethanamine is sourced from PubChem (CID 118036893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).