3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine

C13H20FNO — CID 173184317

IUPAC3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine
SMILESCN1CCCC(COC2=CCCC=C2F)C1
InChIInChI=1S/C13H20FNO/c1-15-8-4-5-11(9-15)10-16-13-7-3-2-6-12(13)14/h6-7,11H,2-5,8-10H2,1H3
InChIKeyXZPLRNPBNJRPMF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.88
Rot. Bonds3

About 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine

3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine (PubChem CID 173184317) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine
PubChem CID173184317
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine
SMILESCN1CCCC(COC2=CCCC=C2F)C1
InChIInChI=1S/C13H20FNO/c1-15-8-4-5-11(9-15)10-16-13-7-3-2-6-12(13)14/h6-7,11H,2-5,8-10H2,1H3
InChIKeyXZPLRNPBNJRPMF-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine?
The IUPAC name of 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine (CID 173184317) is 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine.
What is the SMILES notation for 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine?
The canonical SMILES for 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine is CN1CCCC(COC2=CCCC=C2F)C1.
What is the InChIKey of 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine?
The InChIKey is XZPLRNPBNJRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-15-8-4-5-11(9-15)10-16-13-7-3-2-6-12(13)14/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine?
3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine has a molecular weight of 225.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]-1-methylpiperidine is sourced from PubChem (CID 173184317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).