3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

C13H23F3N2O — CID 61490626

IUPAC3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-3-11(9-18)12-4-1-5-17-12/h11-12,17H,1-10H2
InChIKeyDVBLIIMVQMMYER-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds5

About 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine

3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (PubChem CID 61490626) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
PubChem CID61490626
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
SMILESFC(F)(F)COCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-3-11(9-18)12-4-1-5-17-12/h11-12,17H,1-10H2
InChIKeyDVBLIIMVQMMYER-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine 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 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The IUPAC name of 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine (CID 61490626) is 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine.
What is the SMILES notation for 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The canonical SMILES for 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is FC(F)(F)COCCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
The InChIKey is DVBLIIMVQMMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-19-8-7-18-6-2-3-11(9-18)12-4-1-5-17-12/h11-12,17H,1-10H2.
What are the key properties of 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine?
3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine is sourced from PubChem (CID 61490626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).