1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 66870380

IUPAC1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CN(C2CCNCC2)C1
InChIInChI=1S/C8H16N2O.C2HF3O2/c11-8-5-10(6-8)7-1-3-9-4-2-7;3-2(4,5)1(6)7/h7-9,11H,1-6H2;(H,6,7)
InChIKeyAJEJZFXOABHJLO-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.05
Rot. Bonds1

About 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid

1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 66870380) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID66870380
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CN(C2CCNCC2)C1
InChIInChI=1S/C8H16N2O.C2HF3O2/c11-8-5-10(6-8)7-1-3-9-4-2-7;3-2(4,5)1(6)7/h7-9,11H,1-6H2;(H,6,7)
InChIKeyAJEJZFXOABHJLO-UHFFFAOYSA-N
XLogP0.05
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid (CID 66870380) is 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CN(C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is AJEJZFXOABHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c11-8-5-10(6-8)7-1-3-9-4-2-7;3-2(4,5)1(6)7/h7-9,11H,1-6H2;(H,6,7).
What are the key properties of 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid?
1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylazetidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66870380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).