3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine

C10H20F3N3 — CID 43753073

IUPAC3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-15-5-7-16(8-6-15)9(3-4-14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyUJKQHNCAHXCYBK-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.90
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine

3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753073) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID43753073
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3/c1-2-15-5-7-16(8-6-15)9(3-4-14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyUJKQHNCAHXCYBK-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine (CID 43753073) is 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine is CCN1CCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is UJKQHNCAHXCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-2-15-5-7-16(8-6-15)9(3-4-14)10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine?
3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).