(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol

C10H20FNO3 — CID 166293921

IUPAC(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol
SMILESCC(C)(F)CCN1C[C@@H](O)C(O)[C@@H](O)C1
InChIInChI=1S/C10H20FNO3/c1-10(2,11)3-4-12-5-7(13)9(15)8(14)6-12/h7-9,13-15H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyVJLVXJFZQLTPFZ-JVHMLUBASA-N
MW221.27 g/mol
LogP-0.48
Rot. Bonds3

About (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol

(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol (PubChem CID 166293921) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol
PubChem CID166293921
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol
SMILESCC(C)(F)CCN1C[C@@H](O)C(O)[C@@H](O)C1
InChIInChI=1S/C10H20FNO3/c1-10(2,11)3-4-12-5-7(13)9(15)8(14)6-12/h7-9,13-15H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyVJLVXJFZQLTPFZ-JVHMLUBASA-N
XLogP-0.48
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol (CID 166293921) is (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol is CC(C)(F)CCN1C[C@@H](O)C(O)[C@@H](O)C1.
What is the InChIKey of (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol?
The InChIKey is VJLVXJFZQLTPFZ-JVHMLUBASA-N. The full InChI is InChI=1S/C10H20FNO3/c1-10(2,11)3-4-12-5-7(13)9(15)8(14)6-12/h7-9,13-15H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol?
(3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol has a molecular weight of 221.27 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-fluoro-3-methylbutyl)piperidine-3,4,5-triol is sourced from PubChem (CID 166293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).