1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C9H15F3N2O2 — CID 83992063

IUPAC1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C9H15F3N2O2/c1-14-3-6(8(15)16)2-7(4-14)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,15,16)
InChIKeyDAQMEGPEQUACHX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.54
Rot. Bonds3

About 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992063) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992063
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C9H15F3N2O2/c1-14-3-6(8(15)16)2-7(4-14)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,15,16)
InChIKeyDAQMEGPEQUACHX-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992063) is 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is CN1CC(NCC(F)(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is DAQMEGPEQUACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-14-3-6(8(15)16)2-7(4-14)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).