3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid

C12H20F4N2O2 — CID 134325115

IUPAC3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESFC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19FN2.C2HF3O2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13;3-2(4,5)1(6)7/h9-10,12H,1-8H2;(H,6,7)
InChIKeyJJXSQWZGDYYPNR-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.81
Rot. Bonds1

About 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid

3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 134325115) has the molecular formula C12H20F4N2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID134325115
Molecular FormulaC12H20F4N2O2
Molecular Weight300.30 g/mol
Exact Mass300.15
IUPAC Name3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESFC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19FN2.C2HF3O2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13;3-2(4,5)1(6)7/h9-10,12H,1-8H2;(H,6,7)
InChIKeyJJXSQWZGDYYPNR-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid (CID 134325115) is 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid is FC1CNCCC1N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is JJXSQWZGDYYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2.C2HF3O2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13;3-2(4,5)1(6)7/h9-10,12H,1-8H2;(H,6,7).
What are the key properties of 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid?
3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 300.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134325115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).