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

C12H16FNO2 — CID 84790076

IUPAC2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(CC2CCCNC2)c1F
InChIInChI=1S/C12H16FNO2/c13-12-9(10(15)3-4-11(12)16)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2
InChIKeyLKMVBXCDMFIQHJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.78
Rot. Bonds2

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

2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol (PubChem CID 84790076) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
PubChem CID84790076
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(CC2CCCNC2)c1F
InChIInChI=1S/C12H16FNO2/c13-12-9(10(15)3-4-11(12)16)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2
InChIKeyLKMVBXCDMFIQHJ-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': 'hydroquinone', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
3-[(4-chloro-2,3,5,6-tetrafluorophenyl)methyl]piperidine
CID 117118055
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
CID 84688586
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol?
The IUPAC name of 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol (CID 84790076) is 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol.
What is the SMILES notation for 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol?
The canonical SMILES for 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol is Oc1ccc(O)c(CC2CCCNC2)c1F.
What is the InChIKey of 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol?
The InChIKey is LKMVBXCDMFIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-12-9(10(15)3-4-11(12)16)6-8-2-1-5-14-7-8/h3-4,8,14-16H,1-2,5-7H2.
What are the key properties of 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol?
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-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 2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol is sourced from PubChem (CID 84790076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).