2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid

C14H19NO3 — CID 68969973

IUPAC2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
SMILESCCc1cc(C2(O)CCNCC2)ccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-10-9-11(3-4-12(10)13(16)17)14(18)5-7-15-8-6-14/h3-4,9,15,18H,2,5-8H2,1H3,(H,16,17)
InChIKeyGMSVYAWPFIZJMF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds3

About 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid

2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid (PubChem CID 68969973) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
PubChem CID68969973
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
SMILESCCc1cc(C2(O)CCNCC2)ccc1C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-10-9-11(3-4-12(10)13(16)17)14(18)5-7-15-8-6-14/h3-4,9,15,18H,2,5-8H2,1H3,(H,16,17)
InChIKeyGMSVYAWPFIZJMF-UHFFFAOYSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
CID 10002049
LY382884
CID 656723
4-[4-(4-Hydroxypiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
CID 42630685
1,2,3,4-Tetrahydro-Isoquinoline-7-Carboxylic Acid
CID 4178308
4-(Piperidin-4-yl)benzoic acid
CID 18002462
4-(Piperidin-4-YL)benzoic acid hydrochloride
CID 19381764
Methyl 4-(piperidin-4-yl)benzoate hydrochloride
CID 42614593
Tolperisone metabolite M3
CID 71752612
3-[4-(2-Acetamidoethyl)phenyl]benzoic acid
CID 131955102
4-[[(3,4-Dimethylbenzoyl)amino]methyl]benzoic acid
CID 17171885
4-[4-(2,5-Dimethylphenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 49782600
1-(2,5-Dimethylphenyl)-4-[4-(2,5-dimethylphenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 49782604

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid?
The IUPAC name of 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid (CID 68969973) is 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid.
What is the SMILES notation for 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid?
The canonical SMILES for 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid is CCc1cc(C2(O)CCNCC2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid?
The InChIKey is GMSVYAWPFIZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-9-11(3-4-12(10)13(16)17)14(18)5-7-15-8-6-14/h3-4,9,15,18H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid?
2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid is sourced from PubChem (CID 68969973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).