[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine

C14H26F3N3 — CID 62968920

IUPAC[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-11-2-3-12(9-18)13(8-11)20-6-4-19(5-7-20)10-14(15,16)17/h11-13H,2-10,18H2,1H3
InChIKeyTUUXZSKBRIGMIL-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.93
Rot. Bonds3

About [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine

[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 62968920) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID62968920
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-11-2-3-12(9-18)13(8-11)20-6-4-19(5-7-20)10-14(15,16)17/h11-13H,2-10,18H2,1H3
InChIKeyTUUXZSKBRIGMIL-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.93
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]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (CID 62968920) is [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is CC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is TUUXZSKBRIGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-11-2-3-12(9-18)13(8-11)20-6-4-19(5-7-20)10-14(15,16)17/h11-13H,2-10,18H2,1H3.
What are the key properties of [4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 293.38 g/mol, XLogP of 1.93, 3 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]cyclohexyl]methanamine is sourced from PubChem (CID 62968920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).