1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid

C10H18F3NO2 — CID 171930960

IUPAC1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyGPWBKXSJUREJMN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds1

About 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid

1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 171930960) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID171930960
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyGPWBKXSJUREJMN-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid (CID 171930960) is 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid is CC(C)N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is GPWBKXSJUREJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 241.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171930960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).