4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine

C14H26FNO — CID 177010231

IUPAC4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)CC2)CCC1
InChIInChI=1S/C14H26FNO/c1-12(2)17-11-14(6-3-7-14)10-16-8-4-13(15)5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyWPWLIDGLRVKSES-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.02
Rot. Bonds5

About 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine

4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine (PubChem CID 177010231) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
PubChem CID177010231
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)CC2)CCC1
InChIInChI=1S/C14H26FNO/c1-12(2)17-11-14(6-3-7-14)10-16-8-4-13(15)5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyWPWLIDGLRVKSES-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The IUPAC name of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine (CID 177010231) is 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The canonical SMILES for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine is CC(C)OCC1(CN2CCC(F)CC2)CCC1.
What is the InChIKey of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
The InChIKey is WPWLIDGLRVKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-12(2)17-11-14(6-3-7-14)10-16-8-4-13(15)5-9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine?
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine has a molecular weight of 243.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine is sourced from PubChem (CID 177010231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).