(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol

C11H21F2NO2 — CID 126647342

IUPAC(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol
SMILESCCCC(C)O[C@@H]1CNC[C@H](C(F)F)[C@H]1O
InChIInChI=1S/C11H21F2NO2/c1-3-4-7(2)16-9-6-14-5-8(10(9)15)11(12)13/h7-11,14-15H,3-6H2,1-2H3/t7?,8-,9+,10+/m0/s1
InChIKeyJKINUKUDEWESHW-HCZOVWHVSA-N
MW237.29 g/mol
LogP1.41
Rot. Bonds5

About (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol

(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol (PubChem CID 126647342) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol
PubChem CID126647342
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol
SMILESCCCC(C)O[C@@H]1CNC[C@H](C(F)F)[C@H]1O
InChIInChI=1S/C11H21F2NO2/c1-3-4-7(2)16-9-6-14-5-8(10(9)15)11(12)13/h7-11,14-15H,3-6H2,1-2H3/t7?,8-,9+,10+/m0/s1
InChIKeyJKINUKUDEWESHW-HCZOVWHVSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol?
The IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol (CID 126647342) is (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol.
What is the SMILES notation for (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol?
The canonical SMILES for (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol is CCCC(C)O[C@@H]1CNC[C@H](C(F)F)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol?
The InChIKey is JKINUKUDEWESHW-HCZOVWHVSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-4-7(2)16-9-6-14-5-8(10(9)15)11(12)13/h7-11,14-15H,3-6H2,1-2H3/t7?,8-,9+,10+/m0/s1.
What are the key properties of (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol?
(3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol has a molecular weight of 237.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-(difluoromethyl)-5-pentan-2-yloxypiperidin-4-ol is sourced from PubChem (CID 126647342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).