tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate

C13H24N2O3 — CID 67227612

IUPACtert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)C1COC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15(11-8-17-9-11)10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyFFOAMWFQUWXWRD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate

tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate (PubChem CID 67227612) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
PubChem CID67227612
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)C1COC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15(11-8-17-9-11)10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyFFOAMWFQUWXWRD-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate (CID 67227612) is tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(C1CCNCC1)C1COC1.
What is the InChIKey of tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate?
The InChIKey is FFOAMWFQUWXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15(11-8-17-9-11)10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate has a molecular weight of 256.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 67227612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).