3-fluoro-4-methylpiperidin-4-ol

C6H12FNO — CID 90176624

IUPAC3-fluoro-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1F
InChIInChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyRTWXDUHAJIXSQL-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds

About 3-fluoro-4-methylpiperidin-4-ol

3-fluoro-4-methylpiperidin-4-ol (PubChem CID 90176624) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-fluoro-4-methylpiperidin-4-ol
PubChem CID90176624
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1F
InChIInChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3
InChIKeyRTWXDUHAJIXSQL-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpiperidin-4-ol?
The IUPAC name of 3-fluoro-4-methylpiperidin-4-ol (CID 90176624) is 3-fluoro-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-fluoro-4-methylpiperidin-4-ol?
The canonical SMILES for 3-fluoro-4-methylpiperidin-4-ol is CC1(O)CCNCC1F.
What is the InChIKey of 3-fluoro-4-methylpiperidin-4-ol?
The InChIKey is RTWXDUHAJIXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(9)2-3-8-4-5(6)7/h5,8-9H,2-4H2,1H3.
What are the key properties of 3-fluoro-4-methylpiperidin-4-ol?
3-fluoro-4-methylpiperidin-4-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 90176624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).