4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

C16H23NO4 — CID 63971622

IUPAC4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCN(Cc2cc(C(=O)O)ccc2OC)CC1
InChIInChI=1S/C16H23NO4/c1-20-11-12-5-7-17(8-6-12)10-14-9-13(16(18)19)3-4-15(14)21-2/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKKANUAXJDZBVBA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.25
Rot. Bonds6

About 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 63971622) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
PubChem CID63971622
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCN(Cc2cc(C(=O)O)ccc2OC)CC1
InChIInChI=1S/C16H23NO4/c1-20-11-12-5-7-17(8-6-12)10-14-9-13(16(18)19)3-4-15(14)21-2/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,19)
InChIKeyKKANUAXJDZBVBA-UHFFFAOYSA-N
XLogP2.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
4-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107907966
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (CID 63971622) is 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is COCC1CCN(Cc2cc(C(=O)O)ccc2OC)CC1.
What is the InChIKey of 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is KKANUAXJDZBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-11-12-5-7-17(8-6-12)10-14-9-13(16(18)19)3-4-15(14)21-2/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 63971622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).