methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate

C14H19NO4 — CID 117417249

IUPACmethyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CC2CCNCC2)c(O)cc1O
InChIInChI=1S/C14H19NO4/c1-19-14(18)11-7-10(12(16)8-13(11)17)6-9-2-4-15-5-3-9/h7-9,15-17H,2-6H2,1H3
InChIKeyZNJXEEBOOXSPGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds3

About methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate

methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate (PubChem CID 117417249) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
PubChem CID117417249
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CC2CCNCC2)c(O)cc1O
InChIInChI=1S/C14H19NO4/c1-19-14(18)11-7-10(12(16)8-13(11)17)6-9-2-4-15-5-3-9/h7-9,15-17H,2-6H2,1H3
InChIKeyZNJXEEBOOXSPGB-UHFFFAOYSA-N
XLogP1.43
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
CID 117447967
methyl 2,4-dihydroxy-5-(piperidin-3-ylmethyl)benzoate
CID 117417244
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
CID 118948751
methyl 3-fluoro-4-(piperidin-4-ylmethyl)benzoate
CID 117381410
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
2,5-difluoro-4-(piperidin-4-ylmethyl)phenol
CID 117326872
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate (CID 117417249) is methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate is COC(=O)c1cc(CC2CCNCC2)c(O)cc1O.
What is the InChIKey of methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate?
The InChIKey is ZNJXEEBOOXSPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-14(18)11-7-10(12(16)8-13(11)17)6-9-2-4-15-5-3-9/h7-9,15-17H,2-6H2,1H3.
What are the key properties of methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate?
methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate is sourced from PubChem (CID 117417249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).