propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

C11H18F3NO2 — CID 86826381

IUPACpropyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-7-17-10(16)9-3-5-15(6-4-9)8-11(12,13)14/h9H,2-8H2,1H3
InChIKeyIPKYJWNFOWCWTO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds4

About propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (PubChem CID 86826381) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
PubChem CID86826381
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Namepropyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-7-17-10(16)9-3-5-15(6-4-9)8-11(12,13)14/h9H,2-8H2,1H3
InChIKeyIPKYJWNFOWCWTO-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The IUPAC name of propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (CID 86826381) is propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.
What is the SMILES notation for propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The canonical SMILES for propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is CCCOC(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The InChIKey is IPKYJWNFOWCWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-7-17-10(16)9-3-5-15(6-4-9)8-11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is sourced from PubChem (CID 86826381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).