1-fluoro-3-methylpiperidin-4-ol

C6H12FNO — CID 150859833

IUPAC1-fluoro-3-methylpiperidin-4-ol
SMILESCC1CN(F)CCC1O
InChIInChI=1S/C6H12FNO/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4H2,1H3
InChIKeyKRTQIPXDRPEXSQ-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.57
Rot. Bonds

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

1-fluoro-3-methylpiperidin-4-ol (PubChem CID 150859833) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-fluoro-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-fluoro-3-methylpiperidin-4-ol
PubChem CID150859833
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-fluoro-3-methylpiperidin-4-ol
SMILESCC1CN(F)CCC1O
InChIInChI=1S/C6H12FNO/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4H2,1H3
InChIKeyKRTQIPXDRPEXSQ-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylpiperidin-4-ol?
The IUPAC name of 1-fluoro-3-methylpiperidin-4-ol (CID 150859833) is 1-fluoro-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-fluoro-3-methylpiperidin-4-ol?
The canonical SMILES for 1-fluoro-3-methylpiperidin-4-ol is CC1CN(F)CCC1O.
What is the InChIKey of 1-fluoro-3-methylpiperidin-4-ol?
The InChIKey is KRTQIPXDRPEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5-4-8(7)3-2-6(5)9/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-fluoro-3-methylpiperidin-4-ol?
1-fluoro-3-methylpiperidin-4-ol has a molecular weight of 133.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylpiperidin-4-ol is sourced from PubChem (CID 150859833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).