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

C15H21NO3 — CID 62019516

IUPAC4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC(C)CC1
InChIInChI=1S/C15H21NO3/c1-11-5-7-16(8-6-11)10-13-9-12(15(17)18)3-4-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyWBZYGUCGWFIQJY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds4

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

4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 62019516) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
PubChem CID62019516
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC(C)CC1
InChIInChI=1S/C15H21NO3/c1-11-5-7-16(8-6-11)10-13-9-12(15(17)18)3-4-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyWBZYGUCGWFIQJY-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
8-[(5-carboxy-2-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56904104
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid (CID 62019516) is 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid is COc1ccc(C(=O)O)cc1CN1CCC(C)CC1.
What is the InChIKey of 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is WBZYGUCGWFIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-7-16(8-6-11)10-13-9-12(15(17)18)3-4-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid?
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 62019516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).