5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid

C14H20N2O3 — CID 117096075

IUPAC5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid
SMILESCC(Oc1ccc(N)cc1C(=O)O)C1CCCCN1
InChIInChI=1S/C14H20N2O3/c1-9(12-4-2-3-7-16-12)19-13-6-5-10(15)8-11(13)14(17)18/h5-6,8-9,12,16H,2-4,7,15H2,1H3,(H,17,18)
InChIKeyDXYCJOWCNNWXBR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds4

About 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid

5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid (PubChem CID 117096075) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid
PubChem CID117096075
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid
SMILESCC(Oc1ccc(N)cc1C(=O)O)C1CCCCN1
InChIInChI=1S/C14H20N2O3/c1-9(12-4-2-3-7-16-12)19-13-6-5-10(15)8-11(13)14(17)18/h5-6,8-9,12,16H,2-4,7,15H2,1H3,(H,17,18)
InChIKeyDXYCJOWCNNWXBR-UHFFFAOYSA-N
XLogP1.88
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[1-(1-methylpiperidin-4-yl)ethoxy]benzoic acid
CID 117096068
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-amino-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzoic acid
CID 117096026
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
CID 91008575
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
2-acetyloxy-5-aminobenzoic acid
CID 13140652
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid?
The IUPAC name of 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid (CID 117096075) is 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid is CC(Oc1ccc(N)cc1C(=O)O)C1CCCCN1.
What is the InChIKey of 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid?
The InChIKey is DXYCJOWCNNWXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(12-4-2-3-7-16-12)19-13-6-5-10(15)8-11(13)14(17)18/h5-6,8-9,12,16H,2-4,7,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid?
5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-piperidin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 117096075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).