(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol

C10H19FN2O3 — CID 90064529

IUPAC(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol
SMILESC=C(NC)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](F)[C@@H](CO)N1C
InChIInChI=1S/C10H19FN2O3/c1-5(12-2)8-10(16)9(15)7(11)6(4-14)13(8)3/h6-10,12,14-16H,1,4H2,2-3H3/t6-,7+,8-,9+,10-/m1/s1
InChIKeyOXEQFLNYHMGQBL-MQIGXGKASA-N
MW234.27 g/mol
LogP-1.55
Rot. Bonds3

About (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol

(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol (PubChem CID 90064529) has the molecular formula C10H19FN2O3 and a molecular weight of 234.27 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol
PubChem CID90064529
Molecular FormulaC10H19FN2O3
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Name(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol
SMILESC=C(NC)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](F)[C@@H](CO)N1C
InChIInChI=1S/C10H19FN2O3/c1-5(12-2)8-10(16)9(15)7(11)6(4-14)13(8)3/h6-10,12,14-16H,1,4H2,2-3H3/t6-,7+,8-,9+,10-/m1/s1
InChIKeyOXEQFLNYHMGQBL-MQIGXGKASA-N
XLogP-1.55
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol (CID 90064529) is (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol is C=C(NC)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](F)[C@@H](CO)N1C.
What is the InChIKey of (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol?
The InChIKey is OXEQFLNYHMGQBL-MQIGXGKASA-N. The full InChI is InChI=1S/C10H19FN2O3/c1-5(12-2)8-10(16)9(15)7(11)6(4-14)13(8)3/h6-10,12,14-16H,1,4H2,2-3H3/t6-,7+,8-,9+,10-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol?
(2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol has a molecular weight of 234.27 g/mol, XLogP of -1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-1-methyl-2-[1-(methylamino)ethenyl]piperidine-3,4-diol is sourced from PubChem (CID 90064529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).