[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide

C8H17BF3N2- — CID 63702267

IUPAC[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)C1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C8H17BF3N2/c1-13(2)8-3-5-14(6-4-8)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1
InChIKeyUNNJTVGTRUDZKC-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.40
Rot. Bonds3

About [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide

[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide (PubChem CID 63702267) has the molecular formula C8H17BF3N2- and a molecular weight of 209.04 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide
PubChem CID63702267
Molecular FormulaC8H17BF3N2-
Molecular Weight209.04 g/mol
Exact Mass209.14
IUPAC Name[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide
SMILESCN(C)C1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C8H17BF3N2/c1-13(2)8-3-5-14(6-4-8)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1
InChIKeyUNNJTVGTRUDZKC-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 [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide (CID 63702267) is [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide is CN(C)C1CCN(C[B-](F)(F)F)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide?
The InChIKey is UNNJTVGTRUDZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BF3N2/c1-13(2)8-3-5-14(6-4-8)7-9(10,11)12/h8H,3-7H2,1-2H3/q-1.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide?
[4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide 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 [4-(dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 63702267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).