(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol

C8H16FNO2 — CID 51357588

IUPAC(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
SMILESCC[C@@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16FNO2/c1-2-6(9)5-3-10-4-7(11)8(5)12/h5-8,10-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyJJOAXUOFRVBCHL-WCTZXXKLSA-N
MW177.22 g/mol
LogP-0.32
Rot. Bonds2

About (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol

(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol (PubChem CID 51357588) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
PubChem CID51357588
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
SMILESCC[C@@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16FNO2/c1-2-6(9)5-3-10-4-7(11)8(5)12/h5-8,10-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyJJOAXUOFRVBCHL-WCTZXXKLSA-N
XLogP-0.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol (CID 51357588) is (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol is CC[C@@H](F)[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
The InChIKey is JJOAXUOFRVBCHL-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-2-6(9)5-3-10-4-7(11)8(5)12/h5-8,10-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol?
(3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol has a molecular weight of 177.22 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol is sourced from PubChem (CID 51357588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).