2-(ethoxymethyl)-4-fluoro-1-methylpiperidine

C9H18FNO — CID 170767196

IUPAC2-(ethoxymethyl)-4-fluoro-1-methylpiperidine
SMILESCCOCC1CC(F)CCN1C
InChIInChI=1S/C9H18FNO/c1-3-12-7-9-6-8(10)4-5-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyLZHFILZTMJMUSY-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine

2-(ethoxymethyl)-4-fluoro-1-methylpiperidine (PubChem CID 170767196) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-fluoro-1-methylpiperidine
PubChem CID170767196
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(ethoxymethyl)-4-fluoro-1-methylpiperidine
SMILESCCOCC1CC(F)CCN1C
InChIInChI=1S/C9H18FNO/c1-3-12-7-9-6-8(10)4-5-11(9)2/h8-9H,3-7H2,1-2H3
InChIKeyLZHFILZTMJMUSY-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine?
The IUPAC name of 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine (CID 170767196) is 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine.
What is the SMILES notation for 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine?
The canonical SMILES for 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine is CCOCC1CC(F)CCN1C.
What is the InChIKey of 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine?
The InChIKey is LZHFILZTMJMUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-12-7-9-6-8(10)4-5-11(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine?
2-(ethoxymethyl)-4-fluoro-1-methylpiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-fluoro-1-methylpiperidine is sourced from PubChem (CID 170767196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).