4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid

C14H20N2O4 — CID 150618822

IUPAC4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(N2CCC(N)C(C(=O)O)C2)cc1OC
InChIInChI=1S/C14H20N2O4/c1-19-12-4-3-9(7-13(12)20-2)16-6-5-11(15)10(8-16)14(17)18/h3-4,7,10-11H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyIVLPZKYOYBABAY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.94
Rot. Bonds4

About 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid

4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid (PubChem CID 150618822) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
PubChem CID150618822
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(N2CCC(N)C(C(=O)O)C2)cc1OC
InChIInChI=1S/C14H20N2O4/c1-19-12-4-3-9(7-13(12)20-2)16-6-5-11(15)10(8-16)14(17)18/h3-4,7,10-11H,5-6,8,15H2,1-2H3,(H,17,18)
InChIKeyIVLPZKYOYBABAY-UHFFFAOYSA-N
XLogP0.94
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(1,3-oxazolidin-3-yl)methanone
CID 11508290
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
4-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]butan-2-one
CID 83981248
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
CID 45255003
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3R,4R)-3-fluoro-1-(3-methoxy-4-nitrophenyl)piperidin-4-amine
CID 140575133

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid (CID 150618822) is 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid is COc1ccc(N2CCC(N)C(C(=O)O)C2)cc1OC.
What is the InChIKey of 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The InChIKey is IVLPZKYOYBABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-12-4-3-9(7-13(12)20-2)16-6-5-11(15)10(8-16)14(17)18/h3-4,7,10-11H,5-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 150618822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).