(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine

C9H17F2NO — CID 175624185

IUPAC(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCCN1CC[C@@H](C)C(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8-3-4-12(5-6-13-2)7-9(8,10)11/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPDBOXUJSTLSALI-MRVPVSSYSA-N
MW193.24 g/mol
LogP1.61
Rot. Bonds3

About (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine

(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine (PubChem CID 175624185) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine.

Molecular Properties

Compound Name(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine
PubChem CID175624185
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCCN1CC[C@@H](C)C(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8-3-4-12(5-6-13-2)7-9(8,10)11/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPDBOXUJSTLSALI-MRVPVSSYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The IUPAC name of (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine (CID 175624185) is (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine.
What is the SMILES notation for (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The canonical SMILES for (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine is COCCN1CC[C@@H](C)C(F)(F)C1.
What is the InChIKey of (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The InChIKey is PDBOXUJSTLSALI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8-3-4-12(5-6-13-2)7-9(8,10)11/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine?
(4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-1-(2-methoxyethyl)-4-methylpiperidine is sourced from PubChem (CID 175624185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).