tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

C14H25F3N2O2 — CID 126511782

IUPACtert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25F3N2O2/c1-5-18(10-14(15,16)17)11-6-8-19(9-7-11)12(20)21-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUTVGMXNMQNHVQH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.27
Rot. Bonds3

About tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (PubChem CID 126511782) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
PubChem CID126511782
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nametert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25F3N2O2/c1-5-18(10-14(15,16)17)11-6-8-19(9-7-11)12(20)21-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUTVGMXNMQNHVQH-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (CID 126511782) is tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is CCN(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The InChIKey is UTVGMXNMQNHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-5-18(10-14(15,16)17)11-6-8-19(9-7-11)12(20)21-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126511782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).