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

C11H19F3N2O2 — CID 83992134

IUPAC1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-16-5-8(10(17)18)4-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeySHAFBXBIDZUQHP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.32
Rot. Bonds5

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

1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992134) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992134
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-3-16-5-8(10(17)18)4-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeySHAFBXBIDZUQHP-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992134) is 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is CCCN1CC(NCC(F)(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is SHAFBXBIDZUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-3-16-5-8(10(17)18)4-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).