trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide

C7H15BF3N2- — CID 63705433

IUPACtrifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCNCC1
InChIInChI=1S/C7H15BF3N2/c1-13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3/q-1
InChIKeyMRQHAAMTKJTCKY-UHFFFAOYSA-N
MW195.02 g/mol
LogP1.06
Rot. Bonds3

About trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide

trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide (PubChem CID 63705433) has the molecular formula C7H15BF3N2- and a molecular weight of 195.02 g/mol. Its IUPAC name is trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide
PubChem CID63705433
Molecular FormulaC7H15BF3N2-
Molecular Weight195.02 g/mol
Exact Mass195.13
IUPAC Nametrifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCNCC1
InChIInChI=1S/C7H15BF3N2/c1-13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3/q-1
InChIKeyMRQHAAMTKJTCKY-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[cyclopropyl(methyl)amino]methyl-trifluoroboranuide
CID 63704886
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
N-methyl-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]piperidin-4-amine
CID 144962989
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N,2-dimethyl-3-[methyl(piperidin-4-yl)amino]propanamide
CID 106915781
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 79313995

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide (CID 63705433) is trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide is CN(C[B-](F)(F)F)C1CCNCC1.
What is the InChIKey of trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide?
The InChIKey is MRQHAAMTKJTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3N2/c1-13(6-8(9,10)11)7-2-4-12-5-3-7/h7,12H,2-6H2,1H3/q-1.
What are the key properties of trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide?
trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide has a molecular weight of 195.02 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl(piperidin-4-yl)amino]methyl]boranuide is sourced from PubChem (CID 63705433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).