methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate

C15H21NO4 — CID 117447967

IUPACmethyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CC2CCNCC2)c(OC)cc1O
InChIInChI=1S/C15H21NO4/c1-19-14-9-13(17)12(15(18)20-2)8-11(14)7-10-3-5-16-6-4-10/h8-10,16-17H,3-7H2,1-2H3
InChIKeyMIBMPYWHATZZTR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate

methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate (PubChem CID 117447967) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
PubChem CID117447967
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CC2CCNCC2)c(OC)cc1O
InChIInChI=1S/C15H21NO4/c1-19-14-9-13(17)12(15(18)20-2)8-11(14)7-10-3-5-16-6-4-10/h8-10,16-17H,3-7H2,1-2H3
InChIKeyMIBMPYWHATZZTR-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dihydroxy-5-(piperidin-4-ylmethyl)benzoate
CID 117417249
methyl 2-hydroxy-3-(piperidin-4-ylmethyl)benzoate
CID 118948751
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
CID 117417246
methyl 2,4-dihydroxy-5-(piperidin-3-ylmethyl)benzoate
CID 117417244
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate (CID 117447967) is methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate is COC(=O)c1cc(CC2CCNCC2)c(OC)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate?
The InChIKey is MIBMPYWHATZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-14-9-13(17)12(15(18)20-2)8-11(14)7-10-3-5-16-6-4-10/h8-10,16-17H,3-7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate?
methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate has a molecular weight of 279.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate is sourced from PubChem (CID 117447967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).