(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol

C13H24FNO2 — CID 51357037

IUPAC(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(F)CC1CCCCC1
InChIInChI=1S/C13H24FNO2/c14-11(6-9-4-2-1-3-5-9)10-7-15-8-12(16)13(10)17/h9-13,15-17H,1-8H2/t10-,11?,12-,13-/m1/s1
InChIKeyKJVIFRNHUNITAK-PIBUBRJASA-N
MW245.34 g/mol
LogP1.24
Rot. Bonds3

About (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol

(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol (PubChem CID 51357037) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol
PubChem CID51357037
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(F)CC1CCCCC1
InChIInChI=1S/C13H24FNO2/c14-11(6-9-4-2-1-3-5-9)10-7-15-8-12(16)13(10)17/h9-13,15-17H,1-8H2/t10-,11?,12-,13-/m1/s1
InChIKeyKJVIFRNHUNITAK-PIBUBRJASA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.24
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-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol (CID 51357037) is (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1C(F)CC1CCCCC1.
What is the InChIKey of (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol?
The InChIKey is KJVIFRNHUNITAK-PIBUBRJASA-N. The full InChI is InChI=1S/C13H24FNO2/c14-11(6-9-4-2-1-3-5-9)10-7-15-8-12(16)13(10)17/h9-13,15-17H,1-8H2/t10-,11?,12-,13-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol?
(3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol has a molecular weight of 245.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(2-cyclohexyl-1-fluoroethyl)piperidine-3,4-diol is sourced from PubChem (CID 51357037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).