methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate

C14H19NO3 — CID 118948751

IUPACmethyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cccc(CC2CCNCC2)c1O
InChIInChI=1S/C14H19NO3/c1-18-14(17)12-4-2-3-11(13(12)16)9-10-5-7-15-8-6-10/h2-4,10,15-16H,5-9H2,1H3
InChIKeyBJDCSOKEYKEAOU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate

methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate (PubChem CID 118948751) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
PubChem CID118948751
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cccc(CC2CCNCC2)c1O
InChIInChI=1S/C14H19NO3/c1-18-14(17)12-4-2-3-11(13(12)16)9-10-5-7-15-8-6-10/h2-4,10,15-16H,5-9H2,1H3
InChIKeyBJDCSOKEYKEAOU-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
CID 117417249
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
CID 117447967
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
methyl 3-fluoro-4-(piperidin-4-ylmethyl)benzoate
CID 117381410
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
methyl 2-hydroxy-3-(2-methylpropyl)benzoate
CID 16754220
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
methyl 3-[(4-hydroxy-4-methylcyclohexyl)methyl]-2-methylbenzoate
CID 158108660
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate (CID 118948751) is methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate is COC(=O)c1cccc(CC2CCNCC2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate?
The InChIKey is BJDCSOKEYKEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14(17)12-4-2-3-11(13(12)16)9-10-5-7-15-8-6-10/h2-4,10,15-16H,5-9H2,1H3.
What are the key properties of methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate?
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate has a molecular weight of 249.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate is sourced from PubChem (CID 118948751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).