1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine

C10H18F3NO — CID 71263296

IUPAC1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
SMILESCC(C)CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyAGDSOXBIKWAPSB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine

1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine (PubChem CID 71263296) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
PubChem CID71263296
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
SMILESCC(C)CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyAGDSOXBIKWAPSB-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine (CID 71263296) is 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine is CC(C)CN1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The InChIKey is AGDSOXBIKWAPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 71263296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).