4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid

C15H27F3N2O2 — CID 69239836

IUPAC4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H26N2.C2HF3O2/c1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12;3-2(4,5)1(6)7/h11-14H,3-10H2,1-2H3;(H,6,7)
InChIKeyABLDKFNVFUGIGU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.74
Rot. Bonds2

About 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid

4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 69239836) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID69239836
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H26N2.C2HF3O2/c1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12;3-2(4,5)1(6)7/h11-14H,3-10H2,1-2H3;(H,6,7)
InChIKeyABLDKFNVFUGIGU-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid (CID 69239836) is 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid is CC(C)N1CCC(C2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is ABLDKFNVFUGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2HF3O2/c1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12;3-2(4,5)1(6)7/h11-14H,3-10H2,1-2H3;(H,6,7).
What are the key properties of 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid?
4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 324.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1-propan-2-ylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69239836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).