methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

C12H21F3N2O2 — CID 83992230

IUPACmethyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCCCC1CC(NCC(F)(F)F)CN(C(=O)OC)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)19-2/h9-10,16H,3-8H2,1-2H3
InChIKeyGYNMGCJJPOARKE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.40
Rot. Bonds4

About methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (PubChem CID 83992230) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
PubChem CID83992230
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Namemethyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCCCC1CC(NCC(F)(F)F)CN(C(=O)OC)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)19-2/h9-10,16H,3-8H2,1-2H3
InChIKeyGYNMGCJJPOARKE-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (CID 83992230) is methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is CCCC1CC(NCC(F)(F)F)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The InChIKey is GYNMGCJJPOARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-4-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)19-2/h9-10,16H,3-8H2,1-2H3.
What are the key properties of methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propyl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83992230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).