2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine

C13H25F2NO — CID 171756094

IUPAC2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CCCC(COC(F)F)N1C(C)C
InChIInChI=1S/C13H25F2NO/c1-9(2)12-7-5-6-11(8-17-13(14)15)16(12)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyXNVCZROCDRTBJB-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.51
Rot. Bonds5

About 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine

2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine (PubChem CID 171756094) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine
PubChem CID171756094
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CCCC(COC(F)F)N1C(C)C
InChIInChI=1S/C13H25F2NO/c1-9(2)12-7-5-6-11(8-17-13(14)15)16(12)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyXNVCZROCDRTBJB-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine?
The IUPAC name of 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine (CID 171756094) is 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine?
The canonical SMILES for 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine is CC(C)C1CCCC(COC(F)F)N1C(C)C.
What is the InChIKey of 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine?
The InChIKey is XNVCZROCDRTBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-9(2)12-7-5-6-11(8-17-13(14)15)16(12)10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine?
2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine has a molecular weight of 249.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 171756094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).