ethyl hydrogen carbonate;piperidine

C8H17NO3 — CID 160926874

IUPACethyl hydrogen carbonate;piperidine
SMILESC1CCNCC1.CCOC(=O)O
InChIInChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2-6-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5)
InChIKeySSTITXBVYVZVLE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.46
Rot. Bonds1

About ethyl hydrogen carbonate;piperidine

ethyl hydrogen carbonate;piperidine (PubChem CID 160926874) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl hydrogen carbonate;piperidine.

Molecular Properties

Compound Nameethyl hydrogen carbonate;piperidine
PubChem CID160926874
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl hydrogen carbonate;piperidine
SMILESC1CCNCC1.CCOC(=O)O
InChIInChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2-6-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5)
InChIKeySSTITXBVYVZVLE-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl hydrogen carbonate;sulfane
CID 174718172
CID 131876272
CID 131876272
carboxy hydrogen carbonate;piperidine
CID 22612490
zinc;piperidine;dicarbamothioate
CID 159035221
oxalic acid;piperidine;hydrate
CID 70586342
acetic acid;1,4,7,10-tetrazacyclotetradecane
CID 175503843
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
propan-2-one;pyrrolidine
CID 67819673
1,5-dioxecane-2,4-dione;ethyl hydrogen carbonate
CID 174534052
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
2-methylpropanoic acid;pyrrolidine
CID 159831981

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen carbonate;piperidine?
The IUPAC name of ethyl hydrogen carbonate;piperidine (CID 160926874) is ethyl hydrogen carbonate;piperidine.
What is the SMILES notation for ethyl hydrogen carbonate;piperidine?
The canonical SMILES for ethyl hydrogen carbonate;piperidine is C1CCNCC1.CCOC(=O)O.
What is the InChIKey of ethyl hydrogen carbonate;piperidine?
The InChIKey is SSTITXBVYVZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2-6-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5).
What are the key properties of ethyl hydrogen carbonate;piperidine?
ethyl hydrogen carbonate;piperidine has a molecular weight of 175.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen carbonate;piperidine is sourced from PubChem (CID 160926874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).