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

C14H19NO4 — CID 82537806

IUPAC1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(N2CCCC(C(=O)O)C2)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-6-5-11(8-13(12)19-2)15-7-3-4-10(9-15)14(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyZWPKIPHBJVSRDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid (PubChem CID 82537806) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
PubChem CID82537806
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(N2CCCC(C(=O)O)C2)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-6-5-11(8-13(12)19-2)15-7-3-4-10(9-15)14(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyZWPKIPHBJVSRDR-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 126422446
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid (CID 82537806) is 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid is COc1ccc(N2CCCC(C(=O)O)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
The InChIKey is ZWPKIPHBJVSRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-6-5-11(8-13(12)19-2)15-7-3-4-10(9-15)14(16)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid?
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82537806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).