4,5-difluoro-2-piperidin-3-ylphenol

C11H13F2NO — CID 84679573

IUPAC4,5-difluoro-2-piperidin-3-ylphenol
SMILESOc1cc(F)c(F)cc1C1CCCNC1
InChIInChI=1S/C11H13F2NO/c12-9-4-8(11(15)5-10(9)13)7-2-1-3-14-6-7/h4-5,7,14-15H,1-3,6H2
InChIKeyUWLLBJNNPKZSDE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.14
Rot. Bonds1

About 4,5-difluoro-2-piperidin-3-ylphenol

4,5-difluoro-2-piperidin-3-ylphenol (PubChem CID 84679573) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4,5-difluoro-2-piperidin-3-ylphenol.

Molecular Properties

Compound Name4,5-difluoro-2-piperidin-3-ylphenol
PubChem CID84679573
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4,5-difluoro-2-piperidin-3-ylphenol
SMILESOc1cc(F)c(F)cc1C1CCCNC1
InChIInChI=1S/C11H13F2NO/c12-9-4-8(11(15)5-10(9)13)7-2-1-3-14-6-7/h4-5,7,14-15H,1-3,6H2
InChIKeyUWLLBJNNPKZSDE-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
CID 117372322
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
3-(2,3,5-trifluoro-4-methylsulfanylphenyl)piperidine
CID 117407297
4-chloro-3-piperidin-3-ylphenol
CID 84678781
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-piperidin-3-ylphenol?
The IUPAC name of 4,5-difluoro-2-piperidin-3-ylphenol (CID 84679573) is 4,5-difluoro-2-piperidin-3-ylphenol.
What is the SMILES notation for 4,5-difluoro-2-piperidin-3-ylphenol?
The canonical SMILES for 4,5-difluoro-2-piperidin-3-ylphenol is Oc1cc(F)c(F)cc1C1CCCNC1.
What is the InChIKey of 4,5-difluoro-2-piperidin-3-ylphenol?
The InChIKey is UWLLBJNNPKZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-4-8(11(15)5-10(9)13)7-2-1-3-14-6-7/h4-5,7,14-15H,1-3,6H2.
What are the key properties of 4,5-difluoro-2-piperidin-3-ylphenol?
4,5-difluoro-2-piperidin-3-ylphenol has a molecular weight of 213.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-piperidin-3-ylphenol is sourced from PubChem (CID 84679573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).