(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine

C8H15F2NO — CID 166929234

IUPAC(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine
SMILESCOC[C@H]1CN(C)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-11-4-7(5-12-2)3-8(9,10)6-11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLINOWXUJFNLRGE-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.22
Rot. Bonds2

About (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine

(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine (PubChem CID 166929234) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine
PubChem CID166929234
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine
SMILESCOC[C@H]1CN(C)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-11-4-7(5-12-2)3-8(9,10)6-11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLINOWXUJFNLRGE-SSDOTTSWSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine?
The IUPAC name of (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine (CID 166929234) is (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine.
What is the SMILES notation for (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine?
The canonical SMILES for (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine is COC[C@H]1CN(C)CC(F)(F)C1.
What is the InChIKey of (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine?
The InChIKey is LINOWXUJFNLRGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-7(5-12-2)3-8(9,10)6-11/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine?
(5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-difluoro-5-(methoxymethyl)-1-methylpiperidine is sourced from PubChem (CID 166929234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).