tert-butyl N-piperidin-3-ylcarbamate

C10H20N2O2 — CID 4233041

IUPACtert-butyl N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyWUOQXNWMYLFAHT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl N-piperidin-3-ylcarbamate

tert-butyl N-piperidin-3-ylcarbamate (PubChem CID 4233041) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-3-ylcarbamate
PubChem CID4233041
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyWUOQXNWMYLFAHT-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-piperidin-3-ylcarbamate (CID 4233041) is tert-butyl N-piperidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-piperidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-piperidin-3-ylcarbamate is CC(C)(C)OC(=O)NC1CCCNC1.
What is the InChIKey of tert-butyl N-piperidin-3-ylcarbamate?
The InChIKey is WUOQXNWMYLFAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-piperidin-3-ylcarbamate?
tert-butyl N-piperidin-3-ylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-3-ylcarbamate is sourced from PubChem (CID 4233041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).