4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol

C12H16FNO2 — CID 117323650

IUPAC4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
SMILESOc1ccc(F)c(CC2CCCNC2)c1O
InChIInChI=1S/C12H16FNO2/c13-10-3-4-11(15)12(16)9(10)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2
InChIKeyKUVOMUQFWVKMTG-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.78
Rot. Bonds2

About 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol

4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol (PubChem CID 117323650) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
PubChem CID117323650
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
SMILESOc1ccc(F)c(CC2CCCNC2)c1O
InChIInChI=1S/C12H16FNO2/c13-10-3-4-11(15)12(16)9(10)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2
InChIKeyKUVOMUQFWVKMTG-UHFFFAOYSA-N
XLogP1.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117338299
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol?
The IUPAC name of 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol (CID 117323650) is 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol.
What is the SMILES notation for 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol?
The canonical SMILES for 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol is Oc1ccc(F)c(CC2CCCNC2)c1O.
What is the InChIKey of 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol?
The InChIKey is KUVOMUQFWVKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-3-4-11(15)12(16)9(10)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2.
What are the key properties of 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol?
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol has a molecular weight of 225.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol is sourced from PubChem (CID 117323650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).