1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid

C16H24N2O3 — CID 84754136

IUPAC1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid
SMILESCOc1cc(CN(C)C)ccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O3/c1-17(2)11-12-4-5-14(15(10-12)21-3)18-8-6-13(7-9-18)16(19)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyONXQKJMXFJPKNK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid

1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid (PubChem CID 84754136) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid
PubChem CID84754136
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid
SMILESCOc1cc(CN(C)C)ccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O3/c1-17(2)11-12-4-5-14(15(10-12)21-3)18-8-6-13(7-9-18)16(19)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyONXQKJMXFJPKNK-UHFFFAOYSA-N
XLogP2.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxy-4-piperidin-1-ylphenyl)methyl-methylamino]propanoic acid
CID 84754666
1-[4-[(dimethylamino)methyl]-2-ethoxyphenyl]piperidine-3-carboxylic acid
CID 84754139
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638
1-[4-[[2-(dimethylamino)ethylamino]methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84747778
3-[[4-(4-hydroxypiperidin-1-yl)-3-methoxyphenyl]methylamino]propanoic acid
CID 84754745
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
1-[3-[[(3,4-dimethoxyphenyl)sulfonyl-methylamino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110504610
1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
CID 166293062
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
1-(2-cyano-4-ethylphenyl)piperidine-4-carboxylic acid
CID 134499367
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid (CID 84754136) is 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid is COc1cc(CN(C)C)ccc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid?
The InChIKey is ONXQKJMXFJPKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)11-12-4-5-14(15(10-12)21-3)18-8-6-13(7-9-18)16(19)20/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid?
1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84754136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).