3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine

C9H16F3N3 — CID 175839862

IUPAC3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine
SMILESFC(F)(F)N1CCN(C2CCCNC2)C1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)15-5-4-14(7-15)8-2-1-3-13-6-8/h8,13H,1-7H2
InChIKeyMPMKGFWJYUQIER-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.83
Rot. Bonds1

About 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine

3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine (PubChem CID 175839862) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine
PubChem CID175839862
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC Name3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine
SMILESFC(F)(F)N1CCN(C2CCCNC2)C1
InChIInChI=1S/C9H16F3N3/c10-9(11,12)15-5-4-14(7-15)8-2-1-3-13-6-8/h8,13H,1-7H2
InChIKeyMPMKGFWJYUQIER-UHFFFAOYSA-N
XLogP0.83
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine?
The IUPAC name of 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine (CID 175839862) is 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine.
What is the SMILES notation for 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine?
The canonical SMILES for 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine is FC(F)(F)N1CCN(C2CCCNC2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine?
The InChIKey is MPMKGFWJYUQIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c10-9(11,12)15-5-4-14(7-15)8-2-1-3-13-6-8/h8,13H,1-7H2.
What are the key properties of 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine?
3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine has a molecular weight of 223.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)imidazolidin-1-yl]piperidine is sourced from PubChem (CID 175839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).