4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine

C9H18F3N3 — CID 43753059

IUPAC4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3/c1-14-4-6-15(7-5-14)8(2-3-13)9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyZSOZJLUJXAQDQZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.51
Rot. Bonds3

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

4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 43753059) has the molecular formula C9H18F3N3 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID43753059
Molecular FormulaC9H18F3N3
Molecular Weight225.26 g/mol
Exact Mass225.15
IUPAC Name4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3/c1-14-4-6-15(7-5-14)8(2-3-13)9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyZSOZJLUJXAQDQZ-UHFFFAOYSA-N
XLogP0.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.51
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-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine (CID 43753059) is 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine is CN1CCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is ZSOZJLUJXAQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3/c1-14-4-6-15(7-5-14)8(2-3-13)9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine?
4,4,4-trifluoro-3-(4-methylpiperazin-1-yl)butan-1-amine has a molecular weight of 225.26 g/mol, XLogP of 0.51, 3 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-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 43753059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).