1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine

C15H28FNO — CID 166496608

IUPAC1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine
SMILESCCOCC1CC(CN2CCC(CC)C(F)C2)C1
InChIInChI=1S/C15H28FNO/c1-3-14-5-6-17(10-15(14)16)9-12-7-13(8-12)11-18-4-2/h12-15H,3-11H2,1-2H3
InChIKeyYMOHKVRPPICHPL-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.12
Rot. Bonds6

About 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine

1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine (PubChem CID 166496608) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine.

Molecular Properties

Compound Name1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine
PubChem CID166496608
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine
SMILESCCOCC1CC(CN2CCC(CC)C(F)C2)C1
InChIInChI=1S/C15H28FNO/c1-3-14-5-6-17(10-15(14)16)9-12-7-13(8-12)11-18-4-2/h12-15H,3-11H2,1-2H3
InChIKeyYMOHKVRPPICHPL-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine?
The IUPAC name of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine (CID 166496608) is 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine.
What is the SMILES notation for 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine?
The canonical SMILES for 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine is CCOCC1CC(CN2CCC(CC)C(F)C2)C1.
What is the InChIKey of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine?
The InChIKey is YMOHKVRPPICHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-3-14-5-6-17(10-15(14)16)9-12-7-13(8-12)11-18-4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine?
1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine has a molecular weight of 257.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine is sourced from PubChem (CID 166496608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).