2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid

C14H19NO4 — CID 117417246

IUPAC2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
SMILESCOc1cc(O)c(C(=O)O)cc1CC1CCCNC1
InChIInChI=1S/C14H19NO4/c1-19-13-7-12(16)11(14(17)18)6-10(13)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3,(H,17,18)
InChIKeyJESPHNHGPOGUSW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.64
Rot. Bonds4

About 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid

2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid (PubChem CID 117417246) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
PubChem CID117417246
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
SMILESCOc1cc(O)c(C(=O)O)cc1CC1CCCNC1
InChIInChI=1S/C14H19NO4/c1-19-13-7-12(16)11(14(17)18)6-10(13)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3,(H,17,18)
InChIKeyJESPHNHGPOGUSW-UHFFFAOYSA-N
XLogP1.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-dihydroxy-5-(piperidin-3-ylmethyl)benzoate
CID 117417244
methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
CID 117447967
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid (CID 117417246) is 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid is COc1cc(O)c(C(=O)O)cc1CC1CCCNC1.
What is the InChIKey of 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid?
The InChIKey is JESPHNHGPOGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-13-7-12(16)11(14(17)18)6-10(13)5-9-3-2-4-15-8-9/h6-7,9,15-16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid?
2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid is sourced from PubChem (CID 117417246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).