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

C13H24F3N3 — CID 55141749

IUPACN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESCNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c1-17-12-4-2-3-11(12)9-18-5-7-19(8-6-18)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyBANAGXHHFRFBMF-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.55
Rot. Bonds4

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

N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 55141749) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
PubChem CID55141749
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC NameN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESCNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c1-17-12-4-2-3-11(12)9-18-5-7-19(8-6-18)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyBANAGXHHFRFBMF-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (CID 55141749) is N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine is CNC1CCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is BANAGXHHFRFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-17-12-4-2-3-11(12)9-18-5-7-19(8-6-18)10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 55141749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).