trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide

C8H17BF3N2- — CID 63703301

IUPACtrifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide
SMILESCN1CCC(N(C)C[B-](F)(F)F)CC1
InChIInChI=1S/C8H17BF3N2/c1-13-5-3-8(4-6-13)14(2)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1
InChIKeyIXDFSQCFRQJSNB-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.40
Rot. Bonds3

About trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide

trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide (PubChem CID 63703301) has the molecular formula C8H17BF3N2- and a molecular weight of 209.04 g/mol. Its IUPAC name is trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide
PubChem CID63703301
Molecular FormulaC8H17BF3N2-
Molecular Weight209.04 g/mol
Exact Mass209.14
IUPAC Nametrifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide
SMILESCN1CCC(N(C)C[B-](F)(F)F)CC1
InChIInChI=1S/C8H17BF3N2/c1-13-5-3-8(4-6-13)14(2)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1
InChIKeyIXDFSQCFRQJSNB-UHFFFAOYSA-N
XLogP1.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide (CID 63703301) is trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide is CN1CCC(N(C)C[B-](F)(F)F)CC1.
What is the InChIKey of trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide?
The InChIKey is IXDFSQCFRQJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3N2/c1-13-5-3-8(4-6-13)14(2)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1.
What are the key properties of trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide?
trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide has a molecular weight of 209.04 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide is sourced from PubChem (CID 63703301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).