(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol

C7H13F2NO — CID 118595143

IUPAC(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol
SMILESC[C@H]1CN(C)CC(F)(F)[C@H]1O
InChIInChI=1S/C7H13F2NO/c1-5-3-10(2)4-7(8,9)6(5)11/h5-6,11H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRZSKROCEAMZNHR-WDSKDSINSA-N
MW165.18 g/mol
LogP0.56
Rot. Bonds

About (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol

(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol (PubChem CID 118595143) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol
PubChem CID118595143
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol
SMILESC[C@H]1CN(C)CC(F)(F)[C@H]1O
InChIInChI=1S/C7H13F2NO/c1-5-3-10(2)4-7(8,9)6(5)11/h5-6,11H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRZSKROCEAMZNHR-WDSKDSINSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol?
The IUPAC name of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol (CID 118595143) is (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol?
The canonical SMILES for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol is C[C@H]1CN(C)CC(F)(F)[C@H]1O.
What is the InChIKey of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol?
The InChIKey is RZSKROCEAMZNHR-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-3-10(2)4-7(8,9)6(5)11/h5-6,11H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol?
(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol has a molecular weight of 165.18 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 118595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).