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

C11H17F3N2O2 — CID 83992460

IUPAC1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-8-3-7(10(17)18)4-16(5-8)9-1-2-9/h7-9,15H,1-6H2,(H,17,18)
InChIKeyUJXXTJWMXUGWBY-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.08
Rot. Bonds4

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

1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992460) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992460
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-8-3-7(10(17)18)4-16(5-8)9-1-2-9/h7-9,15H,1-6H2,(H,17,18)
InChIKeyUJXXTJWMXUGWBY-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992460) is 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)(F)F)CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is UJXXTJWMXUGWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)6-15-8-3-7(10(17)18)4-16(5-8)9-1-2-9/h7-9,15H,1-6H2,(H,17,18).
What are the key properties of 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).