3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate

C10H16F3N3O3 — CID 68599400

IUPAC3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate
SMILESNCC(=O)N1CCN(C(=O)OCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)1-6-19-9(18)16-4-2-15(3-5-16)8(17)7-14/h1-7,14H2
InChIKeyUEMOPRLNPSSFSQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.18
Rot. Bonds3

About 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate

3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate (PubChem CID 68599400) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate
PubChem CID68599400
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate
SMILESNCC(=O)N1CCN(C(=O)OCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)1-6-19-9(18)16-4-2-15(3-5-16)8(17)7-14/h1-7,14H2
InChIKeyUEMOPRLNPSSFSQ-UHFFFAOYSA-N
XLogP0.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate (CID 68599400) is 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate is NCC(=O)N1CCN(C(=O)OCCC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The InChIKey is UEMOPRLNPSSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)1-6-19-9(18)16-4-2-15(3-5-16)8(17)7-14/h1-7,14H2.
What are the key properties of 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate has a molecular weight of 283.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 4-(2-aminoacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 68599400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).