tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate

C13H23F3N2O2 — CID 139022487

IUPACtert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)18-10(13(14,15)16)8-9-6-4-5-7-17-9/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyLWUGKUUNTUKGML-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate

tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate (PubChem CID 139022487) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate
PubChem CID139022487
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)18-10(13(14,15)16)8-9-6-4-5-7-17-9/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyLWUGKUUNTUKGML-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate (CID 139022487) is tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CC1CCCCN1)C(F)(F)F.
What is the InChIKey of tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate?
The InChIKey is LWUGKUUNTUKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,3)20-11(19)18-10(13(14,15)16)8-9-6-4-5-7-17-9/h9-10,17H,4-8H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate?
tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate has a molecular weight of 296.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1,1-trifluoro-3-piperidin-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 139022487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).