tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate

C15H26F3NO3 — CID 103916041

IUPACtert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
SMILESCCC1(OCCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26F3NO3/c1-5-14(21-11-8-15(16,17)18)6-9-19(10-7-14)12(20)22-13(2,3)4/h5-11H2,1-4H3
InChIKeyCQLYXONCVQFRGK-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate

tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate (PubChem CID 103916041) has the molecular formula C15H26F3NO3 and a molecular weight of 325.37 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
PubChem CID103916041
Molecular FormulaC15H26F3NO3
Molecular Weight325.37 g/mol
Exact Mass325.19
IUPAC Nametert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
SMILESCCC1(OCCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26F3NO3/c1-5-14(21-11-8-15(16,17)18)6-9-19(10-7-14)12(20)22-13(2,3)4/h5-11H2,1-4H3
InChIKeyCQLYXONCVQFRGK-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-ethyl-4-(4,4,4-trifluorobutoxy)piperidine-1-carboxylate
CID 103916044
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 4-[3-(dimethylamino)-3-oxopropoxy]-4-ethylpiperidine-1-carboxylate
CID 103916049
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-ethyl-4-(4-methoxy-4-oxobutoxy)piperidine-1-carboxylate
CID 106940667
tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
CID 103916074
tert-butyl 3-ethyl-3-(2,2,2-trifluoroethoxymethoxy)pyrrolidine-1-carboxylate
CID 106938793
tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
CID 103916009
tert-butyl 3-but-3-ynoxy-3-ethylpyrrolidine-1-carboxylate
CID 83207573
tert-butyl 4-(bromomethyl)-4-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773138
tert-butyl 3-ethyl-3-(5-hydroxypentoxy)pyrrolidine-1-carboxylate
CID 106938792
tert-butyl 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate (CID 103916041) is tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate is CCC1(OCCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate?
The InChIKey is CQLYXONCVQFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO3/c1-5-14(21-11-8-15(16,17)18)6-9-19(10-7-14)12(20)22-13(2,3)4/h5-11H2,1-4H3.
What are the key properties of tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 103916041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).