tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate

C14H23F3N2O3 — CID 89112849

IUPACtert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1(CNC(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-7-5-13(4,6-8-19)9-18-10(20)14(15,16)17/h5-9H2,1-4H3,(H,18,20)
InChIKeyRTCLAKQUYLIKGR-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 89112849) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID89112849
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Nametert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1(CNC(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-7-5-13(4,6-8-19)9-18-10(20)14(15,16)17/h5-9H2,1-4H3,(H,18,20)
InChIKeyRTCLAKQUYLIKGR-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate (CID 89112849) is tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate is CC1(CNC(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is RTCLAKQUYLIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-12(2,3)22-11(21)19-7-5-13(4,6-8-19)9-18-10(20)14(15,16)17/h5-9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 89112849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).