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

C12H23F2NO — CID 137419209

IUPAC2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1CCCCC1COC(F)F
InChIInChI=1S/C12H23F2NO/c1-12(2,3)9-15-7-5-4-6-10(15)8-16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyYKNMOTNPRAWQPT-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.13
Rot. Bonds4

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

2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine (PubChem CID 137419209) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
PubChem CID137419209
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CN1CCCCC1COC(F)F
InChIInChI=1S/C12H23F2NO/c1-12(2,3)9-15-7-5-4-6-10(15)8-16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyYKNMOTNPRAWQPT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The IUPAC name of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine (CID 137419209) is 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The canonical SMILES for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine is CC(C)(C)CN1CCCCC1COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
The InChIKey is YKNMOTNPRAWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-12(2,3)9-15-7-5-4-6-10(15)8-16-11(13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine?
2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine has a molecular weight of 235.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 137419209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).