4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

C11H17F3N2O2 — CID 126511683

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9-3-5-15(6-4-9)10(17)18/h8-9H,1-7H2,(H,17,18)
InChIKeyXZEYHIACPMOZDB-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.16
Rot. Bonds3

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (PubChem CID 126511683) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
PubChem CID126511683
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9-3-5-15(6-4-9)10(17)18/h8-9H,1-7H2,(H,17,18)
InChIKeyXZEYHIACPMOZDB-UHFFFAOYSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid (CID 126511683) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(N(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is XZEYHIACPMOZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9-3-5-15(6-4-9)10(17)18/h8-9H,1-7H2,(H,17,18).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 126511683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).