methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium

C15H23F3N3O+ — CID 162434922

IUPACmethanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium
SMILESCN1C2CC1CN(Cc1ccc([NH3+])cc1C(F)(F)F)C2.CO
InChIInChI=1S/C14H18F3N3.CH4O/c1-19-11-5-12(19)8-20(7-11)6-9-2-3-10(18)4-13(9)14(15,16)17;1-2/h2-4,11-12H,5-8,18H2,1H3;2H,1H3/p+1
InChIKeyREIVJQJMQXWOMI-UHFFFAOYSA-O
MW318.36 g/mol
LogP1.08
Rot. Bonds2

About methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium

methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium (PubChem CID 162434922) has the molecular formula C15H23F3N3O+ and a molecular weight of 318.36 g/mol. Its IUPAC name is methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Namemethanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium
PubChem CID162434922
Molecular FormulaC15H23F3N3O+
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC Namemethanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium
SMILESCN1C2CC1CN(Cc1ccc([NH3+])cc1C(F)(F)F)C2.CO
InChIInChI=1S/C14H18F3N3.CH4O/c1-19-11-5-12(19)8-20(7-11)6-9-2-3-10(18)4-13(9)14(15,16)17;1-2/h2-4,11-12H,5-8,18H2,1H3;2H,1H3/p+1
InChIKeyREIVJQJMQXWOMI-UHFFFAOYSA-O
XLogP1.08
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium with MolForge

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Related Compounds

(4R)-2-(2-amino-2-oxoethyl)-4-methyl-N-[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 162434941
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397
1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-fluoroazetidine
CID 164559449
methanol;[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]azanium
CID 162434887
[4-(bromomethyl)-3-(trifluoromethyl)phenyl]azanium
CID 145201928
(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
CID 130286479
1-(2-fluoroethyl)-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 142321618
1-[[4-butan-2-yl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine
CID 152876391
[4-[(3-cyanoazetidin-1-yl)methyl]-3-(trifluoromethyl)phenyl] thiocyanate
CID 164559187
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
(3S,4S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 128983034

Frequently Asked Questions

What is the IUPAC name of methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium?
The IUPAC name of methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium (CID 162434922) is methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium is CN1C2CC1CN(Cc1ccc([NH3+])cc1C(F)(F)F)C2.CO.
What is the InChIKey of methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium?
The InChIKey is REIVJQJMQXWOMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18F3N3.CH4O/c1-19-11-5-12(19)8-20(7-11)6-9-2-3-10(18)4-13(9)14(15,16)17;1-2/h2-4,11-12H,5-8,18H2,1H3;2H,1H3/p+1.
What are the key properties of methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium?
methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium has a molecular weight of 318.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 162434922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).