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

C14H23F3N2O4 — CID 126511737

IUPACtert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O4/c1-13(2,3)23-11(20)18-7-5-10(6-8-18)19(12(21)22-4)9-14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyDPPLEFYCLNNHIW-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.02
Rot. Bonds2

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

tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (PubChem CID 126511737) has the molecular formula C14H23F3N2O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
PubChem CID126511737
Molecular FormulaC14H23F3N2O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Nametert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O4/c1-13(2,3)23-11(20)18-7-5-10(6-8-18)19(12(21)22-4)9-14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyDPPLEFYCLNNHIW-UHFFFAOYSA-N
XLogP3.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (CID 126511737) is tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is COC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The InChIKey is DPPLEFYCLNNHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O4/c1-13(2,3)23-11(20)18-7-5-10(6-8-18)19(12(21)22-4)9-14(15,16)17/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126511737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).