1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid

C10H16F3NO2 — CID 71116090

IUPAC1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-6-9(7-3-1)8-4-5-8;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyUPYIRPQIMZIJIY-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds1

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

1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 71116090) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID71116090
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15N.C2HF3O2/c1-2-6-9(7-3-1)8-4-5-8;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyUPYIRPQIMZIJIY-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid (CID 71116090) is 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid is C1CCN(C2CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is UPYIRPQIMZIJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2HF3O2/c1-2-6-9(7-3-1)8-4-5-8;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7).
What are the key properties of 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid?
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71116090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).