1-propylpiperidine;2,2,2-trifluoroacetic acid

C10H18F3NO2 — CID 171923002

IUPAC1-propylpiperidine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7)
InChIKeyACJCIMLTEIRDOV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.52
Rot. Bonds2

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

1-propylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 171923002) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-propylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-propylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID171923002
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-propylpiperidine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7)
InChIKeyACJCIMLTEIRDOV-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-propylpiperidine;2,2,2-trifluoroacetic acid (CID 171923002) is 1-propylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-propylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-propylpiperidine;2,2,2-trifluoroacetic acid is CCCN1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-propylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is ACJCIMLTEIRDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7).
What are the key properties of 1-propylpiperidine;2,2,2-trifluoroacetic acid?
1-propylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 241.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171923002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).