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

C11H22F3N3 — CID 43753072

IUPAC4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine
SMILESCCCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-2-5-16-6-8-17(9-7-16)10(3-4-15)11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyDDHKGZAYYKYONK-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.29
Rot. Bonds5

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

4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine (PubChem CID 43753072) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine
PubChem CID43753072
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine
SMILESCCCN1CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3/c1-2-5-16-6-8-17(9-7-16)10(3-4-15)11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyDDHKGZAYYKYONK-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(4-propylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine (CID 43753072) is 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine is CCCN1CCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine?
The InChIKey is DDHKGZAYYKYONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-2-5-16-6-8-17(9-7-16)10(3-4-15)11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine?
4,4,4-trifluoro-3-(4-propylpiperazin-1-yl)butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 1.29, 5 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-propylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 43753072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).