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

C13H24F3N3 — CID 55141742

IUPAC4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-10-2-3-11(17)12(8-10)19-6-4-18(5-7-19)9-13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyVAPBCFDHETVNSW-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.68
Rot. Bonds2

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

4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (PubChem CID 55141742) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
PubChem CID55141742
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCC1CCC(N)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-10-2-3-11(17)12(8-10)19-6-4-18(5-7-19)9-13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyVAPBCFDHETVNSW-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (CID 55141742) is 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is CC1CCC(N)C(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The InChIKey is VAPBCFDHETVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-10-2-3-11(17)12(8-10)19-6-4-18(5-7-19)9-13(14,15)16/h10-12H,2-9,17H2,1H3.
What are the key properties of 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 55141742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).