tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate

C13H24F2N2O3 — CID 169154167

IUPACtert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)F)C1
InChIInChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16-10-5-4-6-17(9-10)7-8-19-11(14)15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyOERIXDYLZDIEJR-SNVBAGLBSA-N
MW294.34 g/mol
LogP2.21
Rot. Bonds5

About tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate (PubChem CID 169154167) has the molecular formula C13H24F2N2O3 and a molecular weight of 294.34 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate
PubChem CID169154167
Molecular FormulaC13H24F2N2O3
Molecular Weight294.34 g/mol
Exact Mass294.18
IUPAC Nametert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)F)C1
InChIInChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16-10-5-4-6-17(9-10)7-8-19-11(14)15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyOERIXDYLZDIEJR-SNVBAGLBSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate (CID 169154167) is tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(CCOC(F)F)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate?
The InChIKey is OERIXDYLZDIEJR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24F2N2O3/c1-13(2,3)20-12(18)16-10-5-4-6-17(9-10)7-8-19-11(14)15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate has a molecular weight of 294.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-(difluoromethoxy)ethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 169154167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).