2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine

C13H26F3N3 — CID 43362658

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
SMILESCCCCCC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-2-3-4-5-12(10-17)19-8-6-18(7-9-19)11-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyVQFOVYIYQYVQRX-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.07
Rot. Bonds7

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine (PubChem CID 43362658) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
PubChem CID43362658
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
SMILESCCCCCC(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-2-3-4-5-12(10-17)19-8-6-18(7-9-19)11-13(14,15)16/h12H,2-11,17H2,1H3
InChIKeyVQFOVYIYQYVQRX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-Methylpiperidin-2-yl)methanamine
CID 2794677
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
2-(2-Ethylpiperidin-1-yl)ethan-1-amine
CID 6422628
1-Propylpiperidin-3-amine
CID 18464262
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021
1-(2-Aminopropyl)piperidine
CID 118143
2-(cis-2,6-Dimethyl-1-piperidinyl)ethanamine
CID 783702
1-Nonan-5-ylpiperazine
CID 2760244
1-Ethylpiperidine-2-methylamine
CID 3015941
2,6-Dimethyl-1-piperidineethanamine
CID 3149266
dimethyl({[(2R)-piperidin-2-yl]methyl})amine
CID 6993259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine (CID 43362658) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine is CCCCCC(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine?
The InChIKey is VQFOVYIYQYVQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-2-3-4-5-12(10-17)19-8-6-18(7-9-19)11-13(14,15)16/h12H,2-11,17H2,1H3.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-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 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine is sourced from PubChem (CID 43362658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).