tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate

C11H20N2O2 — CID 123338941

IUPACtert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C1/CCCNC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h8,12H,4-7H2,1-3H3,(H,13,14)/b9-8-
InChIKeyNXGYGQZVEPSDCW-HJWRWDBZSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds1

About tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate

tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate (PubChem CID 123338941) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate
PubChem CID123338941
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C1/CCCNC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h8,12H,4-7H2,1-3H3,(H,13,14)/b9-8-
InChIKeyNXGYGQZVEPSDCW-HJWRWDBZSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate (CID 123338941) is tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate is CC(C)(C)OC(=O)N/C=C1/CCCNC1.
What is the InChIKey of tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate?
The InChIKey is NXGYGQZVEPSDCW-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h8,12H,4-7H2,1-3H3,(H,13,14)/b9-8-.
What are the key properties of tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate?
tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate is sourced from PubChem (CID 123338941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).