1,2-ditert-butyl-4-(difluoromethylidene)piperidine

C14H25F2N — CID 153289848

IUPAC1,2-ditert-butyl-4-(difluoromethylidene)piperidine
SMILESCC(C)(C)C1CC(=C(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H25F2N/c1-13(2,3)11-9-10(12(15)16)7-8-17(11)14(4,5)6/h11H,7-9H2,1-6H3
InChIKeySSTNZIUHLYSAJU-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.45
Rot. Bonds

About 1,2-ditert-butyl-4-(difluoromethylidene)piperidine

1,2-ditert-butyl-4-(difluoromethylidene)piperidine (PubChem CID 153289848) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(difluoromethylidene)piperidine.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(difluoromethylidene)piperidine
PubChem CID153289848
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1,2-ditert-butyl-4-(difluoromethylidene)piperidine
SMILESCC(C)(C)C1CC(=C(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H25F2N/c1-13(2,3)11-9-10(12(15)16)7-8-17(11)14(4,5)6/h11H,7-9H2,1-6H3
InChIKeySSTNZIUHLYSAJU-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(difluoromethylidene)piperidine?
The IUPAC name of 1,2-ditert-butyl-4-(difluoromethylidene)piperidine (CID 153289848) is 1,2-ditert-butyl-4-(difluoromethylidene)piperidine.
What is the SMILES notation for 1,2-ditert-butyl-4-(difluoromethylidene)piperidine?
The canonical SMILES for 1,2-ditert-butyl-4-(difluoromethylidene)piperidine is CC(C)(C)C1CC(=C(F)F)CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-(difluoromethylidene)piperidine?
The InChIKey is SSTNZIUHLYSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-13(2,3)11-9-10(12(15)16)7-8-17(11)14(4,5)6/h11H,7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-(difluoromethylidene)piperidine?
1,2-ditert-butyl-4-(difluoromethylidene)piperidine has a molecular weight of 245.36 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-(difluoromethylidene)piperidine is sourced from PubChem (CID 153289848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).