3-fluoro-1-methylpiperidin-4-ol

C6H12FNO — CID 76736291

IUPAC3-fluoro-1-methylpiperidin-4-ol
SMILESCN1CCC(O)C(F)C1
InChIInChI=1S/C6H12FNO/c1-8-3-2-6(9)5(7)4-8/h5-6,9H,2-4H2,1H3
InChIKeyHYJMPMKNCACNOC-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds

About 3-fluoro-1-methylpiperidin-4-ol

3-fluoro-1-methylpiperidin-4-ol (PubChem CID 76736291) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-fluoro-1-methylpiperidin-4-ol
PubChem CID76736291
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-1-methylpiperidin-4-ol
SMILESCN1CCC(O)C(F)C1
InChIInChI=1S/C6H12FNO/c1-8-3-2-6(9)5(7)4-8/h5-6,9H,2-4H2,1H3
InChIKeyHYJMPMKNCACNOC-UHFFFAOYSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpiperidin-4-ol?
The IUPAC name of 3-fluoro-1-methylpiperidin-4-ol (CID 76736291) is 3-fluoro-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-fluoro-1-methylpiperidin-4-ol?
The canonical SMILES for 3-fluoro-1-methylpiperidin-4-ol is CN1CCC(O)C(F)C1.
What is the InChIKey of 3-fluoro-1-methylpiperidin-4-ol?
The InChIKey is HYJMPMKNCACNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-2-6(9)5(7)4-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methylpiperidin-4-ol?
3-fluoro-1-methylpiperidin-4-ol has a molecular weight of 133.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpiperidin-4-ol is sourced from PubChem (CID 76736291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).