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

C15H27F2NO — CID 166496627

IUPAC1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine
SMILESCCOCC1CC(CN2CCC(CC)C(F)(F)C2)C1
InChIInChI=1S/C15H27F2NO/c1-3-14-5-6-18(11-15(14,16)17)9-12-7-13(8-12)10-19-4-2/h12-14H,3-11H2,1-2H3
InChIKeyPIPOFCHTGZLKLQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.42
Rot. Bonds6

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

1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine (PubChem CID 166496627) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine
PubChem CID166496627
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine
SMILESCCOCC1CC(CN2CCC(CC)C(F)(F)C2)C1
InChIInChI=1S/C15H27F2NO/c1-3-14-5-6-18(11-15(14,16)17)9-12-7-13(8-12)10-19-4-2/h12-14H,3-11H2,1-2H3
InChIKeyPIPOFCHTGZLKLQ-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.42
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-3,3-difluoropiperidine?
The IUPAC name of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine (CID 166496627) is 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine.
What is the SMILES notation for 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine?
The canonical SMILES for 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine is CCOCC1CC(CN2CCC(CC)C(F)(F)C2)C1.
What is the InChIKey of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine?
The InChIKey is PIPOFCHTGZLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-3-14-5-6-18(11-15(14,16)17)9-12-7-13(8-12)10-19-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine?
1-[[3-(ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine has a molecular weight of 275.38 g/mol, XLogP of 3.42, 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-3,3-difluoropiperidine is sourced from PubChem (CID 166496627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).