1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid

C13H23F3N2O2 — CID 69116255

IUPAC1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(CCC2CCNC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-2-7-13(8-3-1)9-5-11-4-6-12-10-11;3-2(4,5)1(6)7/h11-12H,1-10H2;(H,6,7)
InChIKeyLNPJYPQHPADYFV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid

1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 69116255) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID69116255
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(CCC2CCNC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-2-7-13(8-3-1)9-5-11-4-6-12-10-11;3-2(4,5)1(6)7/h11-12H,1-10H2;(H,6,7)
InChIKeyLNPJYPQHPADYFV-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid (CID 69116255) is 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid is C1CCN(CCC2CCNC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is LNPJYPQHPADYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2HF3O2/c1-2-7-13(8-3-1)9-5-11-4-6-12-10-11;3-2(4,5)1(6)7/h11-12H,1-10H2;(H,6,7).
What are the key properties of 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid?
1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 296.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69116255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).