tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate

C16H27F2NO4 — CID 175538277

IUPACtert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1CN(C(=O)OC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C16H27F2NO4/c1-14(2,3)22-12(20)7-11-8-16(17,18)10-19(9-11)13(21)23-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyWLKHMZNYNUYSRM-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 175538277) has the molecular formula C16H27F2NO4 and a molecular weight of 335.39 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID175538277
Molecular FormulaC16H27F2NO4
Molecular Weight335.39 g/mol
Exact Mass335.19
IUPAC Nametert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1CN(C(=O)OC(C)(C)C)CC(F)(F)C1
InChIInChI=1S/C16H27F2NO4/c1-14(2,3)22-12(20)7-11-8-16(17,18)10-19(9-11)13(21)23-15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyWLKHMZNYNUYSRM-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate (CID 175538277) is tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)CC1CN(C(=O)OC(C)(C)C)CC(F)(F)C1.
What is the InChIKey of tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is WLKHMZNYNUYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2NO4/c1-14(2,3)22-12(20)7-11-8-16(17,18)10-19(9-11)13(21)23-15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 175538277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).