4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine

C11H22F3N3 — CID 63603323

IUPAC4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCC(N)C(N1CCN(C)C(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-8(15)9(11(12,13)14)17-6-5-16(4)10(2,3)7-17/h8-9H,5-7,15H2,1-4H3
InChIKeyMYGSWTONJWNOMF-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.29
Rot. Bonds2

About 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine

4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (PubChem CID 63603323) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
PubChem CID63603323
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCC(N)C(N1CCN(C)C(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-8(15)9(11(12,13)14)17-6-5-16(4)10(2,3)7-17/h8-9H,5-7,15H2,1-4H3
InChIKeyMYGSWTONJWNOMF-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (CID 63603323) is 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is CC(N)C(N1CCN(C)C(C)(C)C1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The InChIKey is MYGSWTONJWNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-8(15)9(11(12,13)14)17-6-5-16(4)10(2,3)7-17/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 63603323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).