3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

C14H22F3N3O — CID 75372783

IUPAC3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCCCOC1CCCN(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3
InChIKeyVZTXISNWGVELIH-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds6

About 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (PubChem CID 75372783) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
PubChem CID75372783
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCCCOC1CCCN(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3
InChIKeyVZTXISNWGVELIH-UHFFFAOYSA-N
XLogP2.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]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-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The IUPAC name of 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (CID 75372783) is 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is CCCOC1CCCN(Cc2nccn2CC(F)(F)F)C1.
What is the InChIKey of 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The InChIKey is VZTXISNWGVELIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3.
What are the key properties of 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine has a molecular weight of 305.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 75372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).