(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine

C14H26FN — CID 166970164

IUPAC(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
SMILESCC(C)(C)C1C/C(=C/F)CCN1C(C)(C)C
InChIInChI=1S/C14H26FN/c1-13(2,3)12-9-11(10-15)7-8-16(12)14(4,5)6/h10,12H,7-9H2,1-6H3/b11-10+
InChIKeyYFZALCGVQKNTFB-ZHACJKMWSA-N
MW227.37 g/mol
LogP4.15
Rot. Bonds

About (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine

(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine (PubChem CID 166970164) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine.

Molecular Properties

Compound Name(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
PubChem CID166970164
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
SMILESCC(C)(C)C1C/C(=C/F)CCN1C(C)(C)C
InChIInChI=1S/C14H26FN/c1-13(2,3)12-9-11(10-15)7-8-16(12)14(4,5)6/h10,12H,7-9H2,1-6H3/b11-10+
InChIKeyYFZALCGVQKNTFB-ZHACJKMWSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine?
The IUPAC name of (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine (CID 166970164) is (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine.
What is the SMILES notation for (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine?
The canonical SMILES for (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine is CC(C)(C)C1C/C(=C/F)CCN1C(C)(C)C.
What is the InChIKey of (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine?
The InChIKey is YFZALCGVQKNTFB-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26FN/c1-13(2,3)12-9-11(10-15)7-8-16(12)14(4,5)6/h10,12H,7-9H2,1-6H3/b11-10+.
What are the key properties of (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine?
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine has a molecular weight of 227.37 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine is sourced from PubChem (CID 166970164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).