1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid

C12H22F3N3O2 — CID 146455386

IUPAC1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
SMILESCN1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H21N3.C2HF3O2/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3;(H,6,7)
InChIKeyQFOYWPLAVOIWTR-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.62
Rot. Bonds1

About 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid

1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 146455386) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID146455386
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
SMILESCN1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H21N3.C2HF3O2/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3;(H,6,7)
InChIKeyQFOYWPLAVOIWTR-UHFFFAOYSA-N
XLogP0.62
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid (CID 146455386) is 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid is CN1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is QFOYWPLAVOIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C2HF3O2/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;3-2(4,5)1(6)7/h10-11H,2-9H2,1H3;(H,6,7).
What are the key properties of 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid?
1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 297.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).