5-fluoro-4-methoxy-3,3-dimethylpiperidine

C8H16FNO — CID 121265236

IUPAC5-fluoro-4-methoxy-3,3-dimethylpiperidine
SMILESCOC1C(F)CNCC1(C)C
InChIInChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3
InChIKeyBKQGITWSICGJFR-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds1

About 5-fluoro-4-methoxy-3,3-dimethylpiperidine

5-fluoro-4-methoxy-3,3-dimethylpiperidine (PubChem CID 121265236) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-3,3-dimethylpiperidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-3,3-dimethylpiperidine
PubChem CID121265236
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name5-fluoro-4-methoxy-3,3-dimethylpiperidine
SMILESCOC1C(F)CNCC1(C)C
InChIInChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3
InChIKeyBKQGITWSICGJFR-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The IUPAC name of 5-fluoro-4-methoxy-3,3-dimethylpiperidine (CID 121265236) is 5-fluoro-4-methoxy-3,3-dimethylpiperidine.
What is the SMILES notation for 5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The canonical SMILES for 5-fluoro-4-methoxy-3,3-dimethylpiperidine is COC1C(F)CNCC1(C)C.
What is the InChIKey of 5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The InChIKey is BKQGITWSICGJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-4-methoxy-3,3-dimethylpiperidine?
5-fluoro-4-methoxy-3,3-dimethylpiperidine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-3,3-dimethylpiperidine is sourced from PubChem (CID 121265236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).