4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine

C14H25BFNO2 — CID 171114021

IUPAC4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine
SMILESCC(=C(F)B1OC(C)(C)C(C)(C)O1)C1CCNCC1
InChIInChI=1S/C14H25BFNO2/c1-10(11-6-8-17-9-7-11)12(16)15-18-13(2,3)14(4,5)19-15/h11,17H,6-9H2,1-5H3
InChIKeyVZBVKEYZKHMWPM-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.86
Rot. Bonds2

About 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine

4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine (PubChem CID 171114021) has the molecular formula C14H25BFNO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine
PubChem CID171114021
Molecular FormulaC14H25BFNO2
Molecular Weight269.17 g/mol
Exact Mass269.20
IUPAC Name4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine
SMILESCC(=C(F)B1OC(C)(C)C(C)(C)O1)C1CCNCC1
InChIInChI=1S/C14H25BFNO2/c1-10(11-6-8-17-9-7-11)12(16)15-18-13(2,3)14(4,5)19-15/h11,17H,6-9H2,1-5H3
InChIKeyVZBVKEYZKHMWPM-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?
The IUPAC name of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine (CID 171114021) is 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine.
What is the SMILES notation for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?
The canonical SMILES for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine is CC(=C(F)B1OC(C)(C)C(C)(C)O1)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?
The InChIKey is VZBVKEYZKHMWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BFNO2/c1-10(11-6-8-17-9-7-11)12(16)15-18-13(2,3)14(4,5)19-15/h11,17H,6-9H2,1-5H3.
What are the key properties of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?
4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine has a molecular weight of 269.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine is sourced from PubChem (CID 171114021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).