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

C13H24F3N3 — CID 62968799

IUPAC1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)10-12(17)4-2-1-3-5-12/h1-11,17H2
InChIKeyRIPVCNLCPBNUED-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.83
Rot. Bonds3

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

1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 62968799) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID62968799
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)10-12(17)4-2-1-3-5-12/h1-11,17H2
InChIKeyRIPVCNLCPBNUED-UHFFFAOYSA-N
XLogP1.83
TPSA32.50 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 62968799) is 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine is NC1(CN2CCN(CC(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is RIPVCNLCPBNUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c14-13(15,16)11-19-8-6-18(7-9-19)10-12(17)4-2-1-3-5-12/h1-11,17H2.
What are the key properties of 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62968799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).