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

C14H24F2N2O3 — CID 175651364

IUPACtert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NCC(F)F)CC1
InChIInChI=1S/C14H24F2N2O3/c1-14(2,3)21-13(20)18-6-4-10(5-7-18)8-12(19)17-9-11(15)16/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKeyAYYRRRNFPCJGME-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.40
Rot. Bonds4

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

tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 175651364) has the molecular formula C14H24F2N2O3 and a molecular weight of 306.35 g/mol. Its IUPAC name is tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID175651364
Molecular FormulaC14H24F2N2O3
Molecular Weight306.35 g/mol
Exact Mass306.18
IUPAC Nametert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NCC(F)F)CC1
InChIInChI=1S/C14H24F2N2O3/c1-14(2,3)21-13(20)18-6-4-10(5-7-18)8-12(19)17-9-11(15)16/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKeyAYYRRRNFPCJGME-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.40
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-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate (CID 175651364) is tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)NCC(F)F)CC1.
What is the InChIKey of tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is AYYRRRNFPCJGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O3/c1-14(2,3)21-13(20)18-6-4-10(5-7-18)8-12(19)17-9-11(15)16/h10-11H,4-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 306.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2,2-difluoroethylamino)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 175651364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).