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

C14H23F3N2O3 — CID 142596383

IUPACtert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)9-18(4)11(20)14(15,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyHOJBBXCMXRRLOR-SNVBAGLBSA-N
MW324.34 g/mol
LogP2.80
Rot. Bonds2

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

tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 142596383) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID142596383
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Nametert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)9-18(4)11(20)14(15,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyHOJBBXCMXRRLOR-SNVBAGLBSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate (CID 142596383) is tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate is CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is HOJBBXCMXRRLOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-13(2,3)22-12(21)19-8-6-5-7-10(19)9-18(4)11(20)14(15,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142596383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).