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

C15H30F3N3 — CID 43173288

IUPAC2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-3-4-5-6-7-14(2,12-19)21-10-8-20(9-11-21)13-15(16,17)18/h3-13,19H2,1-2H3
InChIKeyRCJBXISTUIIPCD-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.85
Rot. Bonds8

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

2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine (PubChem CID 43173288) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine
PubChem CID43173288
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC Name2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-3-4-5-6-7-14(2,12-19)21-10-8-20(9-11-21)13-15(16,17)18/h3-13,19H2,1-2H3
InChIKeyRCJBXISTUIIPCD-UHFFFAOYSA-N
XLogP2.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681
(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 117915958
1-Tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 117915975
2-(3,3-Difluoropiperidin-1-yl)-2-methylpropan-1-amine
CID 118185604
(3R,5S)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
CID 126486283
(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126486342
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
1-(2-Methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 130205185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine?
The IUPAC name of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine (CID 43173288) is 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine is CCCCCCC(C)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine?
The InChIKey is RCJBXISTUIIPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-3-4-5-6-7-14(2,12-19)21-10-8-20(9-11-21)13-15(16,17)18/h3-13,19H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine?
2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine is sourced from PubChem (CID 43173288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).