tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate

C12H22F2N2O2 — CID 45158821

IUPACtert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)15-8-10(13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyOYZIEDCVHSQERM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate

tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate (PubChem CID 45158821) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate
PubChem CID45158821
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(F)F)CC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)15-8-10(13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyOYZIEDCVHSQERM-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate (CID 45158821) is tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC(F)F)CC1.
What is the InChIKey of tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate?
The InChIKey is OYZIEDCVHSQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)15-8-10(13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate?
tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-difluoroethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 45158821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).