2-(propoxymethyl)-4-(trifluoromethyl)piperidine

C10H18F3NO — CID 106780382

IUPAC2-(propoxymethyl)-4-(trifluoromethyl)piperidine
SMILESCCCOCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H18F3NO/c1-2-5-15-7-9-6-8(3-4-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyAFBWJTWOMKSEBV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds4

About 2-(propoxymethyl)-4-(trifluoromethyl)piperidine

2-(propoxymethyl)-4-(trifluoromethyl)piperidine (PubChem CID 106780382) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(propoxymethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(propoxymethyl)-4-(trifluoromethyl)piperidine
PubChem CID106780382
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(propoxymethyl)-4-(trifluoromethyl)piperidine
SMILESCCCOCC1CC(C(F)(F)F)CCN1
InChIInChI=1S/C10H18F3NO/c1-2-5-15-7-9-6-8(3-4-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyAFBWJTWOMKSEBV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-(propoxymethyl)-4-(trifluoromethyl)piperidine (CID 106780382) is 2-(propoxymethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(propoxymethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(propoxymethyl)-4-(trifluoromethyl)piperidine is CCCOCC1CC(C(F)(F)F)CCN1.
What is the InChIKey of 2-(propoxymethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is AFBWJTWOMKSEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-5-15-7-9-6-8(3-4-14-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-(propoxymethyl)-4-(trifluoromethyl)piperidine?
2-(propoxymethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).