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

C13H18FNO2 — CID 84799660

IUPAC5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
SMILESCOc1cc(CC2CCNCC2)c(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-17-13-7-10(11(14)8-12(13)16)6-9-2-4-15-5-3-9/h7-9,15-16H,2-6H2,1H3
InChIKeyJETAXODVVROBOO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.08
Rot. Bonds3

About 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol

5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol (PubChem CID 84799660) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
PubChem CID84799660
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
SMILESCOc1cc(CC2CCNCC2)c(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-17-13-7-10(11(14)8-12(13)16)6-9-2-4-15-5-3-9/h7-9,15-16H,2-6H2,1H3
InChIKeyJETAXODVVROBOO-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

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117422106
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol (CID 84799660) is 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol is COc1cc(CC2CCNCC2)c(F)cc1O.
What is the InChIKey of 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol?
The InChIKey is JETAXODVVROBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-7-10(11(14)8-12(13)16)6-9-2-4-15-5-3-9/h7-9,15-16H,2-6H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol?
5-fluoro-2-methoxy-4-(piperidin-4-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 5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84799660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).