3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine

C13H26F3N3 — CID 115513334

IUPAC3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-2-12(4-6-17)19-10-8-18(9-11-19)7-3-5-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyAXNPDMKKSLUHCT-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.07
Rot. Bonds7

About 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine

3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine (PubChem CID 115513334) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
PubChem CID115513334
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-2-12(4-6-17)19-10-8-18(9-11-19)7-3-5-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyAXNPDMKKSLUHCT-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-octyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43253288
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylbutanamide
CID 63892035
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
3-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 62626114
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine (CID 115513334) is 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is AXNPDMKKSLUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-2-12(4-6-17)19-10-8-18(9-11-19)7-3-5-13(14,15)16/h12H,2-11,17H2,1H3.
What are the key properties of 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine?
3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 115513334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).