trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide

C13H23BF3N2- — CID 106745778

IUPACtrifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(N2CCCCC2)CC1)[B-](F)(F)F
InChIInChI=1S/C13H23BF3N2/c1-12(14(15,16)17)11-18-9-5-13(6-10-18)19-7-3-2-4-8-19/h13H,1-11H2/q-1
InChIKeyUYOYGZNUJRGVAO-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.88
Rot. Bonds4

About trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106745778) has the molecular formula C13H23BF3N2- and a molecular weight of 275.15 g/mol. Its IUPAC name is trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106745778
Molecular FormulaC13H23BF3N2-
Molecular Weight275.15 g/mol
Exact Mass275.19
IUPAC Nametrifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(N2CCCCC2)CC1)[B-](F)(F)F
InChIInChI=1S/C13H23BF3N2/c1-12(14(15,16)17)11-18-9-5-13(6-10-18)19-7-3-2-4-8-19/h13H,1-11H2/q-1
InChIKeyUYOYGZNUJRGVAO-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.88
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-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide (CID 106745778) is trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCC(N2CCCCC2)CC1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is UYOYGZNUJRGVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BF3N2/c1-12(14(15,16)17)11-18-9-5-13(6-10-18)19-7-3-2-4-8-19/h13H,1-11H2/q-1.
What are the key properties of trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 275.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).