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

C15H28F3N3 — CID 62969098

IUPAC[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H28F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-11,19H2,1H3
InChIKeyLCXDYJIMHKNIIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.32
Rot. Bonds4

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

[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 62969098) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID62969098
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C15H28F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-11,19H2,1H3
InChIKeyLCXDYJIMHKNIIA-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (CID 62969098) is [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is CCC1CCC(CN)C(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is LCXDYJIMHKNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-2-12-3-4-13(10-19)14(9-12)21-7-5-20(6-8-21)11-15(16,17)18/h12-14H,2-11,19H2,1H3.
What are the key properties of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 62969098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).