3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine

C12H23F2NO — CID 137419206

IUPAC3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1CCCC(COC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-12(2,3)9-15-6-4-5-10(7-15)8-16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyVHARDJHSULECQL-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.98
Rot. Bonds4

About 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine

3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine (PubChem CID 137419206) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
PubChem CID137419206
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1CCCC(COC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-12(2,3)9-15-6-4-5-10(7-15)8-16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyVHARDJHSULECQL-UHFFFAOYSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine (CID 137419206) is 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine is CC(C)(C)CN1CCCC(COC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The InChIKey is VHARDJHSULECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-12(2,3)9-15-6-4-5-10(7-15)8-16-11(13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine has a molecular weight of 235.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 137419206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).