4-[ethyl(piperidin-1-yl)amino]benzoic acid

C14H20N2O2 — CID 91303416

IUPAC4-[ethyl(piperidin-1-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)cc1)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(15-10-4-3-5-11-15)13-8-6-12(7-9-13)14(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeySMANLFJOQXUXDL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.61
Rot. Bonds4

About 4-[ethyl(piperidin-1-yl)amino]benzoic acid

4-[ethyl(piperidin-1-yl)amino]benzoic acid (PubChem CID 91303416) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[ethyl(piperidin-1-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[ethyl(piperidin-1-yl)amino]benzoic acid
PubChem CID91303416
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[ethyl(piperidin-1-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)cc1)N1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(15-10-4-3-5-11-15)13-8-6-12(7-9-13)14(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeySMANLFJOQXUXDL-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-1-yl)amino]benzoic acid?
The IUPAC name of 4-[ethyl(piperidin-1-yl)amino]benzoic acid (CID 91303416) is 4-[ethyl(piperidin-1-yl)amino]benzoic acid.
What is the SMILES notation for 4-[ethyl(piperidin-1-yl)amino]benzoic acid?
The canonical SMILES for 4-[ethyl(piperidin-1-yl)amino]benzoic acid is CCN(c1ccc(C(=O)O)cc1)N1CCCCC1.
What is the InChIKey of 4-[ethyl(piperidin-1-yl)amino]benzoic acid?
The InChIKey is SMANLFJOQXUXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(15-10-4-3-5-11-15)13-8-6-12(7-9-13)14(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[ethyl(piperidin-1-yl)amino]benzoic acid?
4-[ethyl(piperidin-1-yl)amino]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-1-yl)amino]benzoic acid is sourced from PubChem (CID 91303416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).