(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol

C7H14FNO2 — CID 51050004

IUPAC(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol
SMILESCC(F)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FNO2/c1-4(8)5-2-9-3-6(10)7(5)11/h4-7,9-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1
InChIKeyADGVYUWMIQUOME-UVSCYPECSA-N
MW163.19 g/mol
LogP-0.71
Rot. Bonds1

About (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol

(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol (PubChem CID 51050004) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol
PubChem CID51050004
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol
SMILESCC(F)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14FNO2/c1-4(8)5-2-9-3-6(10)7(5)11/h4-7,9-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1
InChIKeyADGVYUWMIQUOME-UVSCYPECSA-N
XLogP-0.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.71
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-(1-fluoroethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol (CID 51050004) is (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol is CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol?
The InChIKey is ADGVYUWMIQUOME-UVSCYPECSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-4(8)5-2-9-3-6(10)7(5)11/h4-7,9-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol?
(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol has a molecular weight of 163.19 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol is sourced from PubChem (CID 51050004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).