1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid

C15H22N2O3 — CID 82162790

IUPAC1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
SMILESCc1cc(OCCN2CCCC(C(=O)O)C2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-11-9-13(4-5-14(11)16)20-8-7-17-6-2-3-12(10-17)15(18)19/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,18,19)
InChIKeyOQSBLCZOQOVHCJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid

1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 82162790) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID82162790
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
SMILESCc1cc(OCCN2CCCC(C(=O)O)C2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-11-9-13(4-5-14(11)16)20-8-7-17-6-2-3-12(10-17)15(18)19/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,18,19)
InChIKeyOQSBLCZOQOVHCJ-UHFFFAOYSA-N
XLogP1.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid (CID 82162790) is 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid is Cc1cc(OCCN2CCCC(C(=O)O)C2)ccc1N.
What is the InChIKey of 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid?
The InChIKey is OQSBLCZOQOVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-9-13(4-5-14(11)16)20-8-7-17-6-2-3-12(10-17)15(18)19/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid?
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82162790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).