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

C14H26FNO2 — CID 118370637

IUPAC(3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(CF)CC1CCCCC1
InChIInChI=1S/C14H26FNO2/c15-7-11(6-10-4-2-1-3-5-10)12-8-16-9-13(17)14(12)18/h10-14,16-18H,1-9H2/t11?,12-,13-,14-/m1/s1
InChIKeyAFZKIDZHACYGLI-DGKWRVCWSA-N
MW259.36 g/mol
LogP1.48
Rot. Bonds4

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

(3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol (PubChem CID 118370637) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol
PubChem CID118370637
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name(3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(CF)CC1CCCCC1
InChIInChI=1S/C14H26FNO2/c15-7-11(6-10-4-2-1-3-5-10)12-8-16-9-13(17)14(12)18/h10-14,16-18H,1-9H2/t11?,12-,13-,14-/m1/s1
InChIKeyAFZKIDZHACYGLI-DGKWRVCWSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.48
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-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol (CID 118370637) is (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1C(CF)CC1CCCCC1.
What is the InChIKey of (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol?
The InChIKey is AFZKIDZHACYGLI-DGKWRVCWSA-N. The full InChI is InChI=1S/C14H26FNO2/c15-7-11(6-10-4-2-1-3-5-10)12-8-16-9-13(17)14(12)18/h10-14,16-18H,1-9H2/t11?,12-,13-,14-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol?
(3R,4R,5S)-5-(1-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol has a molecular weight of 259.36 g/mol, XLogP of 1.48, 4 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-cyclohexyl-3-fluoropropan-2-yl)piperidine-3,4-diol is sourced from PubChem (CID 118370637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).