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

C20H29BFNO2 — CID 171114588

IUPAC4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine
SMILESCC(c1ccccc1)N1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H29BFNO2/c1-15(16-9-7-6-8-10-16)23-13-11-17(12-14-23)18(22)21-24-19(2,3)20(4,5)25-21/h6-10,15H,11-14H2,1-5H3
InChIKeySGSUAHWRWCGZKH-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.70
Rot. Bonds3

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

4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine (PubChem CID 171114588) has the molecular formula C20H29BFNO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine
PubChem CID171114588
Molecular FormulaC20H29BFNO2
Molecular Weight345.27 g/mol
Exact Mass345.23
IUPAC Name4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine
SMILESCC(c1ccccc1)N1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C20H29BFNO2/c1-15(16-9-7-6-8-10-16)23-13-11-17(12-14-23)18(22)21-24-19(2,3)20(4,5)25-21/h6-10,15H,11-14H2,1-5H3
InChIKeySGSUAHWRWCGZKH-UHFFFAOYSA-N
XLogP4.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pyrrolidine
CID 171111962
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-[(4,4-difluorocyclohexylidene)-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114561
4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-propylpiperidine
CID 171112005
2-[fluoro-[4-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114248
6-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]spiro[3.3]heptan-2-one
CID 171113532
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
2-[[3-(difluoromethyl)cyclobutylidene]-fluoromethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114559
4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
9-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-10-oxoanthracene-2-carboxylic acid
CID 171112137

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine?
The IUPAC name of 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine (CID 171114588) is 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine.
What is the SMILES notation for 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine?
The canonical SMILES for 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine is CC(c1ccccc1)N1CCC(=C(F)B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine?
The InChIKey is SGSUAHWRWCGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BFNO2/c1-15(16-9-7-6-8-10-16)23-13-11-17(12-14-23)18(22)21-24-19(2,3)20(4,5)25-21/h6-10,15H,11-14H2,1-5H3.
What are the key properties of 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine?
4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine has a molecular weight of 345.27 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-1-(1-phenylethyl)piperidine is sourced from PubChem (CID 171114588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).