tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate

C11H19F3N2O3 — CID 166524678

IUPACtert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1OC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-7-6-15-5-4-8(7)18-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1
InChIKeySTWLLKPAERWWRS-JGVFFNPUSA-N
MW284.28 g/mol
LogP1.78
Rot. Bonds2

About tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate (PubChem CID 166524678) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate
PubChem CID166524678
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1OC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-7-6-15-5-4-8(7)18-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1
InChIKeySTWLLKPAERWWRS-JGVFFNPUSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate (CID 166524678) is tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CNCC[C@H]1OC(F)(F)F.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate?
The InChIKey is STWLLKPAERWWRS-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-7-6-15-5-4-8(7)18-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate has a molecular weight of 284.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-(trifluoromethoxy)piperidin-3-yl]carbamate is sourced from PubChem (CID 166524678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).