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

C14H26F3N3O2 — CID 146455409

IUPAC1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25N3.C2HF3O2/c1-11(2)14-7-9-15(10-8-14)12-3-5-13-6-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7)
InChIKeyDOZGOOXUVDKLDI-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.40
Rot. Bonds2

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

1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 146455409) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID146455409
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25N3.C2HF3O2/c1-11(2)14-7-9-15(10-8-14)12-3-5-13-6-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7)
InChIKeyDOZGOOXUVDKLDI-UHFFFAOYSA-N
XLogP1.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid (CID 146455409) is 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid is CC(C)N1CCN(C2CCNCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is DOZGOOXUVDKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C2HF3O2/c1-11(2)14-7-9-15(10-8-14)12-3-5-13-6-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7).
What are the key properties of 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid?
1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 325.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).