1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid

C15H21NO3 — CID 117011695

IUPAC1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(19-3)12(10-11)16-8-6-15(2,7-9-16)14(17)18/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyQNDAZRDCPNAZAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid

1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 117011695) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID117011695
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(19-3)12(10-11)16-8-6-15(2,7-9-16)14(17)18/h4-5,10H,6-9H2,1-3H3,(H,17,18)
InChIKeyQNDAZRDCPNAZAO-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
CID 117025206
1-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013232
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018427
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077553
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124556
3-amino-1-(2-methoxy-5-methylphenyl)pyrrolidine-3-carbonitrile
CID 117013000

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid (CID 117011695) is 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid is COc1ccc(C)cc1N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is QNDAZRDCPNAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-5-13(19-3)12(10-11)16-8-6-15(2,7-9-16)14(17)18/h4-5,10H,6-9H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117011695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).