3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol

C14H20FNO2 — CID 117386337

IUPAC3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
SMILESCOc1c(F)cc(C)c(CC2CCCCN2)c1O
InChIInChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-2)13(17)11(9)8-10-5-3-4-6-16-10/h7,10,16-17H,3-6,8H2,1-2H3
InChIKeyZBQJPYOHWHHACC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.53
Rot. Bonds3

About 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol

3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol (PubChem CID 117386337) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
PubChem CID117386337
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
SMILESCOc1c(F)cc(C)c(CC2CCCCN2)c1O
InChIInChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-2)13(17)11(9)8-10-5-3-4-6-16-10/h7,10,16-17H,3-6,8H2,1-2H3
InChIKeyZBQJPYOHWHHACC-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol (CID 117386337) is 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol is COc1c(F)cc(C)c(CC2CCCCN2)c1O.
What is the InChIKey of 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol?
The InChIKey is ZBQJPYOHWHHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-2)13(17)11(9)8-10-5-3-4-6-16-10/h7,10,16-17H,3-6,8H2,1-2H3.
What are the key properties of 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol?
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol has a molecular weight of 253.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117386337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).