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

C13H18FNO2 — CID 84799634

IUPAC2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)cc(O)c1F
InChIInChI=1S/C13H18FNO2/c1-17-12-7-10(6-11(16)13(12)14)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3
InChIKeyVCWBIOBOYOSVTG-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.08
Rot. Bonds3

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

2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol (PubChem CID 84799634) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
PubChem CID84799634
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
SMILESCOc1cc(CC2CCCNC2)cc(O)c1F
InChIInChI=1S/C13H18FNO2/c1-17-12-7-10(6-11(16)13(12)14)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3
InChIKeyVCWBIOBOYOSVTG-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

3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
2-methoxy-6-nitro-4-(piperidin-3-ylmethyl)phenol
CID 116987625
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol (CID 84799634) is 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol is COc1cc(CC2CCCNC2)cc(O)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol?
The InChIKey is VCWBIOBOYOSVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-12-7-10(6-11(16)13(12)14)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3.
What are the key properties of 2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol?
2-fluoro-3-methoxy-5-(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-3-methoxy-5-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84799634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).