4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol

C6H12FNO3 — CID 15170695

IUPAC4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol
SMILESOCC1NCC(O)C(F)C1O
InChIInChI=1S/C6H12FNO3/c7-5-4(10)1-8-3(2-9)6(5)11/h3-6,8-11H,1-2H2
InChIKeyLNFYCACPUUFQOH-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.99
Rot. Bonds1

About 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol

4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol (PubChem CID 15170695) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol
PubChem CID15170695
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol
SMILESOCC1NCC(O)C(F)C1O
InChIInChI=1S/C6H12FNO3/c7-5-4(10)1-8-3(2-9)6(5)11/h3-6,8-11H,1-2H2
InChIKeyLNFYCACPUUFQOH-UHFFFAOYSA-N
XLogP-1.99
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol (CID 15170695) is 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol is OCC1NCC(O)C(F)C1O.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol?
The InChIKey is LNFYCACPUUFQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c7-5-4(10)1-8-3(2-9)6(5)11/h3-6,8-11H,1-2H2.
What are the key properties of 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol?
4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol has a molecular weight of 165.16 g/mol, XLogP of -1.99, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)piperidine-3,5-diol is sourced from PubChem (CID 15170695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).