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

C13H24F3N3 — CID 43173291

IUPAC[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-18-6-8-19(9-7-18)12(10-17)4-2-1-3-5-12/h1-11,17H2
InChIKeyWXTSWKHJNINHRZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.83
Rot. Bonds3

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

[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 43173291) 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]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID43173291
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C13H24F3N3/c14-13(15,16)11-18-6-8-19(9-7-18)12(10-17)4-2-1-3-5-12/h1-11,17H2
InChIKeyWXTSWKHJNINHRZ-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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Related Compounds

[1-(Piperidin-1-yl)cyclohexyl]methanamine
CID 398402
1-(Piperidin-1-ylmethyl)cyclohexanamine
CID 6484226
1,4-Diazaspiro[5.5]undecane
CID 10630733
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane dihydrochloride
CID 177801805
1-[(4-Methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 28294547
C-[1-(4-Methyl-piperidin-1-yl)-cyclohexyl]-methylamine
CID 9079359
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
1-Methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
1-[1-(Trifluoromethyl)cyclohexyl]piperidine
CID 54169363
1-[4-(Trifluoromethyl)cyclohexyl]piperazine
CID 64755935

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine (CID 43173291) is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCCCC1.
What is the InChIKey of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is WXTSWKHJNINHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c14-13(15,16)11-18-6-8-19(9-7-18)12(10-17)4-2-1-3-5-12/h1-11,17H2.
What are the key properties of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine?
[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine 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]cyclohexyl]methanamine is sourced from PubChem (CID 43173291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).