2-fluoro-5-piperidin-3-ylbenzene-1,4-diol

C11H14FNO2 — CID 117301308

IUPAC2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
SMILESOc1cc(C2CCCNC2)c(O)cc1F
InChIInChI=1S/C11H14FNO2/c12-9-5-10(14)8(4-11(9)15)7-2-1-3-13-6-7/h4-5,7,13-15H,1-3,6H2
InChIKeyWRLRVYPLHLJCTR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.70
Rot. Bonds1

About 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol

2-fluoro-5-piperidin-3-ylbenzene-1,4-diol (PubChem CID 117301308) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
PubChem CID117301308
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
SMILESOc1cc(C2CCCNC2)c(O)cc1F
InChIInChI=1S/C11H14FNO2/c12-9-5-10(14)8(4-11(9)15)7-2-1-3-13-6-7/h4-5,7,13-15H,1-3,6H2
InChIKeyWRLRVYPLHLJCTR-UHFFFAOYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
2-chloro-3,5-difluoro-4-piperidin-3-ylphenol
CID 117372322
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
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 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol?
The IUPAC name of 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol (CID 117301308) is 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol.
What is the SMILES notation for 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol?
The canonical SMILES for 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol is Oc1cc(C2CCCNC2)c(O)cc1F.
What is the InChIKey of 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol?
The InChIKey is WRLRVYPLHLJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-5-10(14)8(4-11(9)15)7-2-1-3-13-6-7/h4-5,7,13-15H,1-3,6H2.
What are the key properties of 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol?
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol has a molecular weight of 211.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-piperidin-3-ylbenzene-1,4-diol is sourced from PubChem (CID 117301308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).