3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid

C16H23NO4 — CID 63971546

IUPAC3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
SMILESCOCC1CCN(CCOc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C16H23NO4/c1-20-12-13-5-7-17(8-6-13)9-10-21-15-4-2-3-14(11-15)16(18)19/h2-4,11,13H,5-10,12H2,1H3,(H,18,19)
InChIKeyGFHXUHPJUNBSRQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.12
Rot. Bonds7

About 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid

3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid (PubChem CID 63971546) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
PubChem CID63971546
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
SMILESCOCC1CCN(CCOc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C16H23NO4/c1-20-12-13-5-7-17(8-6-13)9-10-21-15-4-2-3-14(11-15)16(18)19/h2-4,11,13H,5-10,12H2,1H3,(H,18,19)
InChIKeyGFHXUHPJUNBSRQ-UHFFFAOYSA-N
XLogP2.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
CID 61403557
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308
3-[3-(cyclopropylmethoxy)propoxy]benzoic acid
CID 55180706
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 136550595
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
3-[2-(4-ethylpiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 61421199

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid (CID 63971546) is 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid is COCC1CCN(CCOc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid?
The InChIKey is GFHXUHPJUNBSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-12-13-5-7-17(8-6-13)9-10-21-15-4-2-3-14(11-15)16(18)19/h2-4,11,13H,5-10,12H2,1H3,(H,18,19).
What are the key properties of 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid?
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 63971546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).