2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate

C15H25F2NO4 — CID 70958185

IUPAC2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C(F)(F)CC)CC1
InChIInChI=1S/C15H25F2NO4/c1-5-14(3,4)22-13(20)18-9-7-11(8-10-18)21-12(19)15(16,17)6-2/h11H,5-10H2,1-4H3
InChIKeyJPCRRQDBMIPYQJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.36
Rot. Bonds5

About 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate

2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate (PubChem CID 70958185) has the molecular formula C15H25F2NO4 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
PubChem CID70958185
Molecular FormulaC15H25F2NO4
Molecular Weight321.36 g/mol
Exact Mass321.18
IUPAC Name2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C(F)(F)CC)CC1
InChIInChI=1S/C15H25F2NO4/c1-5-14(3,4)22-13(20)18-9-7-11(8-10-18)21-12(19)15(16,17)6-2/h11H,5-10H2,1-4H3
InChIKeyJPCRRQDBMIPYQJ-UHFFFAOYSA-N
XLogP3.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
2-methylbutan-2-yl 4-(4,4,4-trifluorobutanoyloxy)piperidine-1-carboxylate
CID 123893512
2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
CID 121355117
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
CID 155769975
CID 155769975
2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 135170247
2-methylbutan-2-yl 4-[1-adamantyl(hydroxy)methoxy]piperidine-1-carboxylate
CID 155471145
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
tert-butyl 3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 77402680

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate (CID 70958185) is 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(OC(=O)C(F)(F)CC)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate?
The InChIKey is JPCRRQDBMIPYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO4/c1-5-14(3,4)22-13(20)18-9-7-11(8-10-18)21-12(19)15(16,17)6-2/h11H,5-10H2,1-4H3.
What are the key properties of 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate?
2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate has a molecular weight of 321.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 70958185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).