1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile

C10H15F3N2O — CID 62075507

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-6,8H2
InChIKeyHUJPPLMFXAGAMT-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile

1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 62075507) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile
PubChem CID62075507
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-6,8H2
InChIKeyHUJPPLMFXAGAMT-UHFFFAOYSA-N
XLogP1.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile 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-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile (CID 62075507) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile is N#CC1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is HUJPPLMFXAGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-6,8H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 236.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 62075507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).