tert-butyl carbamate;ethane;piperidine

C12H28N2O2 — CID 143654925

IUPACtert-butyl carbamate;ethane;piperidine
SMILESC1CCNCC1.CC.CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2.C5H11N.C2H6/c1-5(2,3)8-4(6)7;1-2-4-6-5-3-1;1-2/h1-3H3,(H2,6,7);6H,1-5H2;1-2H3
InChIKeyVPOKUIPNOKYOPC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.67
Rot. Bonds

About tert-butyl carbamate;ethane;piperidine

tert-butyl carbamate;ethane;piperidine (PubChem CID 143654925) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is tert-butyl carbamate;ethane;piperidine.

Molecular Properties

Compound Nametert-butyl carbamate;ethane;piperidine
PubChem CID143654925
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Nametert-butyl carbamate;ethane;piperidine
SMILESC1CCNCC1.CC.CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2.C5H11N.C2H6/c1-5(2,3)8-4(6)7;1-2-4-6-5-3-1;1-2/h1-3H3,(H2,6,7);6H,1-5H2;1-2H3
InChIKeyVPOKUIPNOKYOPC-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl carbamate;molecular nitrogen
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tert-butyl carbamate;cyclopropyne
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tert-butyl carbamate;cyclobutanol
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tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
piperidine;2,2,2-trifluoroacetamide
CID 121482656
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
2,2-dimethylpropane;piperidine
CID 158818588
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;ethane;piperidine?
The IUPAC name of tert-butyl carbamate;ethane;piperidine (CID 143654925) is tert-butyl carbamate;ethane;piperidine.
What is the SMILES notation for tert-butyl carbamate;ethane;piperidine?
The canonical SMILES for tert-butyl carbamate;ethane;piperidine is C1CCNCC1.CC.CC(C)(C)OC(N)=O.
What is the InChIKey of tert-butyl carbamate;ethane;piperidine?
The InChIKey is VPOKUIPNOKYOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H11N.C2H6/c1-5(2,3)8-4(6)7;1-2-4-6-5-3-1;1-2/h1-3H3,(H2,6,7);6H,1-5H2;1-2H3.
What are the key properties of tert-butyl carbamate;ethane;piperidine?
tert-butyl carbamate;ethane;piperidine has a molecular weight of 232.37 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;ethane;piperidine is sourced from PubChem (CID 143654925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).