4,4-difluoro-1-octylpiperidin-3-ol

C13H25F2NO — CID 138581107

IUPAC4,4-difluoro-1-octylpiperidin-3-ol
SMILESCCCCCCCCN1CCC(F)(F)C(O)C1
InChIInChI=1S/C13H25F2NO/c1-2-3-4-5-6-7-9-16-10-8-13(14,15)12(17)11-16/h12,17H,2-11H2,1H3
InChIKeyOOWWGYMYTMKTEB-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.05
Rot. Bonds7

About 4,4-difluoro-1-octylpiperidin-3-ol

4,4-difluoro-1-octylpiperidin-3-ol (PubChem CID 138581107) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4,4-difluoro-1-octylpiperidin-3-ol.

Molecular Properties

Compound Name4,4-difluoro-1-octylpiperidin-3-ol
PubChem CID138581107
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4,4-difluoro-1-octylpiperidin-3-ol
SMILESCCCCCCCCN1CCC(F)(F)C(O)C1
InChIInChI=1S/C13H25F2NO/c1-2-3-4-5-6-7-9-16-10-8-13(14,15)12(17)11-16/h12,17H,2-11H2,1H3
InChIKeyOOWWGYMYTMKTEB-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butylpiperidin-3-ol
CID 98962
1-Propyl-3-piperidinol
CID 15105446
1-Dodecyl-piperidin-3-ol
CID 291782
r-(+)-3-hydroxy-N-n-propyl-piperidine
CID 68400415
1-(2,2,2-Trifluoroethyl)piperidin-3-ol
CID 60733148
1-(2,2-Difluoroethyl)piperidin-3-ol
CID 62022499
4-Fluoro-1-methylpiperidin-3-ol
CID 83670240
1-(Diethylamino)-4,4-difluoropentan-2-ol
CID 88869806
4,4-Difluoro-1-methylpiperidin-3-ol
CID 88983631
(3R,4R)-4-fluoro-1-methylpiperidin-3-ol
CID 105531423
(3S,4S)-4-fluoro-1-propan-2-ylpiperidin-3-ol
CID 121357724
(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol
CID 121359041

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-octylpiperidin-3-ol?
The IUPAC name of 4,4-difluoro-1-octylpiperidin-3-ol (CID 138581107) is 4,4-difluoro-1-octylpiperidin-3-ol.
What is the SMILES notation for 4,4-difluoro-1-octylpiperidin-3-ol?
The canonical SMILES for 4,4-difluoro-1-octylpiperidin-3-ol is CCCCCCCCN1CCC(F)(F)C(O)C1.
What is the InChIKey of 4,4-difluoro-1-octylpiperidin-3-ol?
The InChIKey is OOWWGYMYTMKTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-2-3-4-5-6-7-9-16-10-8-13(14,15)12(17)11-16/h12,17H,2-11H2,1H3.
What are the key properties of 4,4-difluoro-1-octylpiperidin-3-ol?
4,4-difluoro-1-octylpiperidin-3-ol has a molecular weight of 249.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-octylpiperidin-3-ol is sourced from PubChem (CID 138581107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).