tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate

C11H18F3NO3 — CID 97109495

IUPACtert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-6-4-5-8(7-15)17-11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyUTVXJWLTSCNBRX-MRVPVSSYSA-N
MW269.26 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate

tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate (PubChem CID 97109495) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate
PubChem CID97109495
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Nametert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](OC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-6-4-5-8(7-15)17-11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyUTVXJWLTSCNBRX-MRVPVSSYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(methylideneamino)oxypiperidine-1-carboxylate
CID 88575354
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl (3S)-3-prop-2-enoyloxypiperidine-1-carboxylate
CID 163505560
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl 3-acetyloxyazepane-1-carboxylate
CID 162415739
tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
CID 66563853
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl (3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 95566444
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate (CID 97109495) is tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](OC(F)(F)F)C1.
What is the InChIKey of tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate?
The InChIKey is UTVXJWLTSCNBRX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-6-4-5-8(7-15)17-11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate?
tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 97109495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).