1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid

C11H19F3N2O2 — CID 54892985

IUPAC1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
SMILESCC(C)N1CCC(NCC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(4-6-16,9(17)18)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,17,18)
InChIKeyFCIMGUSFVPRHFD-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.47
Rot. Bonds4

About 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid

1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid (PubChem CID 54892985) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
PubChem CID54892985
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
SMILESCC(C)N1CCC(NCC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(4-6-16,9(17)18)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,17,18)
InChIKeyFCIMGUSFVPRHFD-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid 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 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid (CID 54892985) is 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid is CC(C)N1CCC(NCC(F)(F)F)(C(=O)O)CC1.
What is the InChIKey of 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The InChIKey is FCIMGUSFVPRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)16-5-3-10(4-6-16,9(17)18)15-7-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 54892985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).