(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol

C13H23F2NO — CID 118321426

IUPAC(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
SMILESO[C@H]1C[C@@H](C(F)F)CN(CC2CCCCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h10-13,17H,1-9H2/t11-,12+/m1/s1
InChIKeyCLUYZPCBBMOSPH-NEPJUHHUSA-N
MW247.33 g/mol
LogP2.51
Rot. Bonds3

About (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol

(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol (PubChem CID 118321426) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
PubChem CID118321426
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
SMILESO[C@H]1C[C@@H](C(F)F)CN(CC2CCCCC2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h10-13,17H,1-9H2/t11-,12+/m1/s1
InChIKeyCLUYZPCBBMOSPH-NEPJUHHUSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol?
The IUPAC name of (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol (CID 118321426) is (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol is O[C@H]1C[C@@H](C(F)F)CN(CC2CCCCC2)C1.
What is the InChIKey of (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol?
The InChIKey is CLUYZPCBBMOSPH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h10-13,17H,1-9H2/t11-,12+/m1/s1.
What are the key properties of (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol?
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol has a molecular weight of 247.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol is sourced from PubChem (CID 118321426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).