4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid

C15H21NO4 — CID 81096927

IUPAC4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
SMILESCC1(O)CCN(CCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO4/c1-15(19)6-8-16(9-7-15)10-11-20-13-4-2-12(3-5-13)14(17)18/h2-5,19H,6-11H2,1H3,(H,17,18)
InChIKeyAEIYSVZRNZIFFG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.61
Rot. Bonds5

About 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid

4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 81096927) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
PubChem CID81096927
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
SMILESCC1(O)CCN(CCOc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO4/c1-15(19)6-8-16(9-7-15)10-11-20-13-4-2-12(3-5-13)14(17)18/h2-5,19H,6-11H2,1H3,(H,17,18)
InChIKeyAEIYSVZRNZIFFG-UHFFFAOYSA-N
XLogP1.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592997
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid (CID 81096927) is 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid is CC1(O)CCN(CCOc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is AEIYSVZRNZIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(19)6-8-16(9-7-15)10-11-20-13-4-2-12(3-5-13)14(17)18/h2-5,19H,6-11H2,1H3,(H,17,18).
What are the key properties of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid?
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 81096927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).