(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate

C14H24F3N3O2 — CID 153408590

IUPAC(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
SMILESCC(C)N1CCN(C2CCNCC2)CC1OC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-10(2)20-8-7-19(11-3-5-18-6-4-11)9-12(20)22-13(21)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyJIXHQQGSPWVXPU-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.20
Rot. Bonds3

About (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate

(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate (PubChem CID 153408590) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
PubChem CID153408590
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate
SMILESCC(C)N1CCN(C2CCNCC2)CC1OC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-10(2)20-8-7-19(11-3-5-18-6-4-11)9-12(20)22-13(21)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyJIXHQQGSPWVXPU-UHFFFAOYSA-N
XLogP1.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate (CID 153408590) is (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate is CC(C)N1CCN(C2CCNCC2)CC1OC(=O)C(F)(F)F.
What is the InChIKey of (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is JIXHQQGSPWVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10(2)20-8-7-19(11-3-5-18-6-4-11)9-12(20)22-13(21)14(15,16)17/h10-12,18H,3-9H2,1-2H3.
What are the key properties of (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate?
(4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 323.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-yl-1-propan-2-ylpiperazin-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 153408590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).