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

C11H13F2NO — CID 84782646

IUPAC3,5-difluoro-4-piperidin-4-ylphenol
SMILESOc1cc(F)c(C2CCNCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-5-8(15)6-10(13)11(9)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeyNCPXLXFQVLZWBD-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.14
Rot. Bonds1

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

3,5-difluoro-4-piperidin-4-ylphenol (PubChem CID 84782646) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3,5-difluoro-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name3,5-difluoro-4-piperidin-4-ylphenol
PubChem CID84782646
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3,5-difluoro-4-piperidin-4-ylphenol
SMILESOc1cc(F)c(C2CCNCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-5-8(15)6-10(13)11(9)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeyNCPXLXFQVLZWBD-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

3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
CID 163197147
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide
CID 16756399

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-piperidin-4-ylphenol?
The IUPAC name of 3,5-difluoro-4-piperidin-4-ylphenol (CID 84782646) is 3,5-difluoro-4-piperidin-4-ylphenol.
What is the SMILES notation for 3,5-difluoro-4-piperidin-4-ylphenol?
The canonical SMILES for 3,5-difluoro-4-piperidin-4-ylphenol is Oc1cc(F)c(C2CCNCC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-piperidin-4-ylphenol?
The InChIKey is NCPXLXFQVLZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-5-8(15)6-10(13)11(9)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2.
What are the key properties of 3,5-difluoro-4-piperidin-4-ylphenol?
3,5-difluoro-4-piperidin-4-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 3,5-difluoro-4-piperidin-4-ylphenol is sourced from PubChem (CID 84782646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).