[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol

C13H24F3N3O — CID 79634375

IUPAC[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)9-18-4-6-19(7-5-18)11-2-1-3-12(17,8-11)10-20/h11,20H,1-10,17H2
InChIKeyIQTIVKXJDYCCPO-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.80
Rot. Bonds3

About [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol

[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol (PubChem CID 79634375) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
PubChem CID79634375
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3O/c14-13(15,16)9-18-4-6-19(7-5-18)11-2-1-3-12(17,8-11)10-20/h11,20H,1-10,17H2
InChIKeyIQTIVKXJDYCCPO-UHFFFAOYSA-N
XLogP0.80
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79641042
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
[1-amino-3-(4-ethylpiperazin-1-yl)cyclopentyl]methanol
CID 79656436
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
CID 79647022
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62968799
[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
CID 113419340
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol (CID 79634375) is [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol is NC1(CO)CCCC(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol?
The InChIKey is IQTIVKXJDYCCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c14-13(15,16)9-18-4-6-19(7-5-18)11-2-1-3-12(17,8-11)10-20/h11,20H,1-10,17H2.
What are the key properties of [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol?
[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol has a molecular weight of 295.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 79634375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).