1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid

C13H22F3NO2 — CID 171931210

IUPAC1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCC(N2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7)
InChIKeyRWWQYKHUHSXODY-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.44
Rot. Bonds1

About 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid

1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 171931210) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID171931210
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCC(N2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7)
InChIKeyRWWQYKHUHSXODY-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid (CID 171931210) is 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid is C1CCC(N2CCCCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is RWWQYKHUHSXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7).
What are the key properties of 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid?
1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 281.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171931210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).