3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid

C14H19NO3 — CID 174596498

IUPAC3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid
SMILESCCc1cc(C(=O)O)ccc1N1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c1-2-10-9-11(14(17)18)3-4-13(10)15-7-5-12(16)6-8-15/h3-4,9,12,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyFBYDVISTEJEVQZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.91
Rot. Bonds3

About 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid

3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid (PubChem CID 174596498) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid
PubChem CID174596498
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid
SMILESCCc1cc(C(=O)O)ccc1N1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c1-2-10-9-11(14(17)18)3-4-13(10)15-7-5-12(16)6-8-15/h3-4,9,12,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyFBYDVISTEJEVQZ-UHFFFAOYSA-N
XLogP1.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-3-ethylbenzoic acid
CID 66723574
3-ethyl-4-imidazol-1-ylbenzoic acid
CID 84681695
3-ethyl-4-(triazol-1-yl)benzoic acid
CID 84682606
3-bromo-4-(4-methylpiperidin-1-yl)benzoic acid
CID 45072132
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222
4-[4-[(dipropylamino)methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 156711612
4-ethyl-3-sulfanylbenzoic acid
CID 91874390
4-chloro-3-ethylbenzoic acid
CID 21412279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid?
The IUPAC name of 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid (CID 174596498) is 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid.
What is the SMILES notation for 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid?
The canonical SMILES for 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid is CCc1cc(C(=O)O)ccc1N1CCC(O)CC1.
What is the InChIKey of 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid?
The InChIKey is FBYDVISTEJEVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-9-11(14(17)18)3-4-13(10)15-7-5-12(16)6-8-15/h3-4,9,12,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid?
3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-hydroxypiperidin-1-yl)benzoic acid is sourced from PubChem (CID 174596498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).