1-[1-(trifluoromethyl)cyclohexyl]piperidine

C12H20F3N — CID 54169363

IUPAC1-[1-(trifluoromethyl)cyclohexyl]piperidine
SMILESFC(F)(F)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)11(7-3-1-4-8-11)16-9-5-2-6-10-16/h1-10H2
InChIKeyOTXPNGQOBIXUPY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.74
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclohexyl]piperidine

1-[1-(trifluoromethyl)cyclohexyl]piperidine (PubChem CID 54169363) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclohexyl]piperidine
PubChem CID54169363
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-[1-(trifluoromethyl)cyclohexyl]piperidine
SMILESFC(F)(F)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)11(7-3-1-4-8-11)16-9-5-2-6-10-16/h1-10H2
InChIKeyOTXPNGQOBIXUPY-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(trifluoromethyl)cyclohexyl]piperidine (CID 54169363) is 1-[1-(trifluoromethyl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclohexyl]piperidine is FC(F)(F)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclohexyl]piperidine?
The InChIKey is OTXPNGQOBIXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c13-12(14,15)11(7-3-1-4-8-11)16-9-5-2-6-10-16/h1-10H2.
What are the key properties of 1-[1-(trifluoromethyl)cyclohexyl]piperidine?
1-[1-(trifluoromethyl)cyclohexyl]piperidine has a molecular weight of 235.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclohexyl]piperidine is sourced from PubChem (CID 54169363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).