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

C15H28F3N3 — CID 43362667

IUPAC[4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-2-13-3-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3
InChIKeyZPEHOWIXUDCLGJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.46
Rot. Bonds4

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

[4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 43362667) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID43362667
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name[4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H28F3N3/c1-2-13-3-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3
InChIKeyZPEHOWIXUDCLGJ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
1-Methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
CID 58235978
1-[4-(Trifluoromethyl)cyclohexyl]piperazine
CID 64755935
3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67189724
[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681
(4,4-Difluoro-1-piperazin-1-ylcyclohexyl)methanamine
CID 117906736
(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
CID 118872092
1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
CID 134567171
1-(2-Fluoro-4-propan-2-ylcyclohexyl)piperazine
CID 140709128
1-(2,2-Difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140906734
1-(4-Propan-2-ylcyclohexyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 145766775
1-[2-(4,4-Difluorocyclohexyl)propan-2-yl]piperazine
CID 165128560

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (CID 43362667) is [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is CCC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is ZPEHOWIXUDCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-2-13-3-5-14(11-19,6-4-13)21-9-7-20(8-10-21)12-15(16,17)18/h13H,2-12,19H2,1H3.
What are the key properties of [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
[4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 43362667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).