2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol

C13H18FNO2 — CID 84799633

IUPAC2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
SMILESCOc1ccc(O)c(F)c1CC1CCCNC1
InChIInChI=1S/C13H18FNO2/c1-17-12-5-4-11(16)13(14)10(12)7-9-3-2-6-15-8-9/h4-5,9,15-16H,2-3,6-8H2,1H3
InChIKeyMCVCCGSROPJEMN-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.08
Rot. Bonds3

About 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol

2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol (PubChem CID 84799633) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
PubChem CID84799633
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
SMILESCOc1ccc(O)c(F)c1CC1CCCNC1
InChIInChI=1S/C13H18FNO2/c1-17-12-5-4-11(16)13(14)10(12)7-9-3-2-6-15-8-9/h4-5,9,15-16H,2-3,6-8H2,1H3
InChIKeyMCVCCGSROPJEMN-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol (CID 84799633) is 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol is COc1ccc(O)c(F)c1CC1CCCNC1.
What is the InChIKey of 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol?
The InChIKey is MCVCCGSROPJEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-12-5-4-11(16)13(14)10(12)7-9-3-2-6-15-8-9/h4-5,9,15-16H,2-3,6-8H2,1H3.
What are the key properties of 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol?
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol has a molecular weight of 239.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84799633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).