3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid

C14H20N2O3 — CID 61403557

IUPAC3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
SMILESNC1CCCN(CCOc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H20N2O3/c15-12-4-2-6-16(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,18)
InChIKeyWUJSJRIHPPAUHF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds5

About 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid

3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid (PubChem CID 61403557) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
PubChem CID61403557
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid
SMILESNC1CCCN(CCOc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H20N2O3/c15-12-4-2-6-16(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,18)
InChIKeyWUJSJRIHPPAUHF-UHFFFAOYSA-N
XLogP1.19
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]benzoic acid
CID 79929384
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[(3R)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-3-yl]benzoic acid
CID 97187424
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
3-[2-(6-cyclobutyl-1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 136550798
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
3-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63609414

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid (CID 61403557) is 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid is NC1CCCN(CCOc2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid?
The InChIKey is WUJSJRIHPPAUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-4-2-6-16(10-12)7-8-19-13-5-1-3-11(9-13)14(17)18/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,18).
What are the key properties of 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid?
3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopiperidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 61403557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).