butane;ethyl piperidine-1-carboxylate

C12H25NO2 — CID 70239415

IUPACbutane;ethyl piperidine-1-carboxylate
SMILESCCCC.CCOC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2.C4H10/c1-2-11-8(10)9-6-4-3-5-7-9;1-3-4-2/h2-7H2,1H3;3-4H2,1-2H3
InChIKeyOIAXNQDWDOWODP-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.44
Rot. Bonds2

About butane;ethyl piperidine-1-carboxylate

butane;ethyl piperidine-1-carboxylate (PubChem CID 70239415) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is butane;ethyl piperidine-1-carboxylate.

Molecular Properties

Compound Namebutane;ethyl piperidine-1-carboxylate
PubChem CID70239415
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namebutane;ethyl piperidine-1-carboxylate
SMILESCCCC.CCOC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO2.C4H10/c1-2-11-8(10)9-6-4-3-5-7-9;1-3-4-2/h2-7H2,1H3;3-4H2,1-2H3
InChIKeyOIAXNQDWDOWODP-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;ethyl piperidine-1-carboxylate?
The IUPAC name of butane;ethyl piperidine-1-carboxylate (CID 70239415) is butane;ethyl piperidine-1-carboxylate.
What is the SMILES notation for butane;ethyl piperidine-1-carboxylate?
The canonical SMILES for butane;ethyl piperidine-1-carboxylate is CCCC.CCOC(=O)N1CCCCC1.
What is the InChIKey of butane;ethyl piperidine-1-carboxylate?
The InChIKey is OIAXNQDWDOWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H10/c1-2-11-8(10)9-6-4-3-5-7-9;1-3-4-2/h2-7H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;ethyl piperidine-1-carboxylate?
butane;ethyl piperidine-1-carboxylate has a molecular weight of 215.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethyl piperidine-1-carboxylate is sourced from PubChem (CID 70239415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).