1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine

C13H24FNO — CID 70882706

IUPAC1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(CC2OCCC(F)C2C)CC1
InChIInChI=1S/C13H24FNO/c1-10-3-6-15(7-4-10)9-13-11(2)12(14)5-8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyKEPJRIVHFZUBQB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds2

About 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine

1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine (PubChem CID 70882706) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine
PubChem CID70882706
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine
SMILESCC1CCN(CC2OCCC(F)C2C)CC1
InChIInChI=1S/C13H24FNO/c1-10-3-6-15(7-4-10)9-13-11(2)12(14)5-8-16-13/h10-13H,3-9H2,1-2H3
InChIKeyKEPJRIVHFZUBQB-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine (CID 70882706) is 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine is CC1CCN(CC2OCCC(F)C2C)CC1.
What is the InChIKey of 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine?
The InChIKey is KEPJRIVHFZUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-10-3-6-15(7-4-10)9-13-11(2)12(14)5-8-16-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine?
1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methyloxan-2-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 70882706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).