3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid

C14H19NO3 — CID 23157065

IUPAC3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CCC1c1ccccc1C
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-6-11(10)12-7-8-15(14(16)17)9-13(12)18-2/h3-6,12-13H,7-9H2,1-2H3,(H,16,17)
InChIKeyNKYPCOSMULBJDP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds2

About 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid

3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 23157065) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
PubChem CID23157065
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CCC1c1ccccc1C
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-6-11(10)12-7-8-15(14(16)17)9-13(12)18-2/h3-6,12-13H,7-9H2,1-2H3,(H,16,17)
InChIKeyNKYPCOSMULBJDP-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid (CID 23157065) is 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid is COC1CN(C(=O)O)CCC1c1ccccc1C.
What is the InChIKey of 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is NKYPCOSMULBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-3-4-6-11(10)12-7-8-15(14(16)17)9-13(12)18-2/h3-6,12-13H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid?
3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 23157065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).