propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid

C10H17F3N2O4 — CID 66855426

IUPACpropyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCCOC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-2-7-12-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyNUKWESJLJALCNM-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.07
Rot. Bonds2

About propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid

propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 66855426) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepropyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID66855426
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Namepropyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCCOC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-2-7-12-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyNUKWESJLJALCNM-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid (CID 66855426) is propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid is CCCOC(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is NUKWESJLJALCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2HF3O2/c1-2-7-12-8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid?
propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 286.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66855426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).