2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid

C14H19NO3 — CID 63971544

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
SMILESCOCC1CCN(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-18-10-11-6-8-15(9-7-11)13-5-3-2-4-12(13)14(16)17/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyJCXMNVAQHZMIGI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid

2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid (PubChem CID 63971544) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
PubChem CID63971544
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
SMILESCOCC1CCN(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-18-10-11-6-8-15(9-7-11)13-5-3-2-4-12(13)14(16)17/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyJCXMNVAQHZMIGI-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
4-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 64598678
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
CID 117003563
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid (CID 63971544) is 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid is COCC1CCN(c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid?
The InChIKey is JCXMNVAQHZMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-10-11-6-8-15(9-7-11)13-5-3-2-4-12(13)14(16)17/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid?
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid is sourced from PubChem (CID 63971544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).