N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine

C13H24F3N3 — CID 79619155

IUPACN-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-17-11-3-2-4-12(9-11)19-7-5-18(6-8-19)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUFYHUGWXXTWNES-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.70
Rot. Bonds3

About N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine

N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (PubChem CID 79619155) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
PubChem CID79619155
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC NameN-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-17-11-3-2-4-12(9-11)19-7-5-18(6-8-19)10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUFYHUGWXXTWNES-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (CID 79619155) is N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is CNC1CCCC(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The InChIKey is UFYHUGWXXTWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-17-11-3-2-4-12(9-11)19-7-5-18(6-8-19)10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 79619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).