4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine

C13H25F2NO — CID 134274368

IUPAC4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine
SMILESCC(C)(C)CCCN1CCC(OC(F)F)CC1
InChIInChI=1S/C13H25F2NO/c1-13(2,3)7-4-8-16-9-5-11(6-10-16)17-12(14)15/h11-12H,4-10H2,1-3H3
InChIKeyJPZGQVBENFZYCL-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.52
Rot. Bonds5

About 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine

4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine (PubChem CID 134274368) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine
PubChem CID134274368
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine
SMILESCC(C)(C)CCCN1CCC(OC(F)F)CC1
InChIInChI=1S/C13H25F2NO/c1-13(2,3)7-4-8-16-9-5-11(6-10-16)17-12(14)15/h11-12H,4-10H2,1-3H3
InChIKeyJPZGQVBENFZYCL-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine?
The IUPAC name of 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine (CID 134274368) is 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine?
The canonical SMILES for 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine is CC(C)(C)CCCN1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine?
The InChIKey is JPZGQVBENFZYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-13(2,3)7-4-8-16-9-5-11(6-10-16)17-12(14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine?
4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine has a molecular weight of 249.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-(4,4-dimethylpentyl)piperidine is sourced from PubChem (CID 134274368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).