tert-butyl N-ethyl-N-piperidin-4-ylcarbamate

C12H24N2O2 — CID 18677728

IUPACtert-butyl N-ethyl-N-piperidin-4-ylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-8-13-9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyJGRCDKUNLLBMTE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-ethyl-N-piperidin-4-ylcarbamate

tert-butyl N-ethyl-N-piperidin-4-ylcarbamate (PubChem CID 18677728) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-piperidin-4-ylcarbamate
PubChem CID18677728
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-ethyl-N-piperidin-4-ylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10-6-8-13-9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyJGRCDKUNLLBMTE-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-ethyl-N-piperidin-4-ylcarbamate (CID 18677728) is tert-butyl N-ethyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-ethyl-N-piperidin-4-ylcarbamate is CCN(C(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-ethyl-N-piperidin-4-ylcarbamate?
The InChIKey is JGRCDKUNLLBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(10-6-8-13-9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-piperidin-4-ylcarbamate?
tert-butyl N-ethyl-N-piperidin-4-ylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 18677728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).