3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine

C10H19F2NO — CID 168881012

IUPAC3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine
SMILESCCC1(COC)CN(C)CCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-4-9(8-14-3)7-13(2)6-5-10(9,11)12/h4-8H2,1-3H3
InChIKeyUJXYKDDKQYFSNF-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.00
Rot. Bonds3

About 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine

3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine (PubChem CID 168881012) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine
PubChem CID168881012
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine
SMILESCCC1(COC)CN(C)CCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-4-9(8-14-3)7-13(2)6-5-10(9,11)12/h4-8H2,1-3H3
InChIKeyUJXYKDDKQYFSNF-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine?
The IUPAC name of 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine (CID 168881012) is 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine.
What is the SMILES notation for 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine?
The canonical SMILES for 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine is CCC1(COC)CN(C)CCC1(F)F.
What is the InChIKey of 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine?
The InChIKey is UJXYKDDKQYFSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-9(8-14-3)7-13(2)6-5-10(9,11)12/h4-8H2,1-3H3.
What are the key properties of 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine?
3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-difluoro-3-(methoxymethyl)-1-methylpiperidine is sourced from PubChem (CID 168881012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).