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

C14H19NO3 — CID 3929628

IUPAC1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-18-13-8-3-2-6-11(13)10-15-9-5-4-7-12(15)14(16)17/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
InChIKeyQGAXUFYVQFXXON-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds4

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

1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3929628) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3929628
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO3/c1-18-13-8-3-2-6-11(13)10-15-9-5-4-7-12(15)14(16)17/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
InChIKeyQGAXUFYVQFXXON-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 3929628) is 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid is COc1ccccc1CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is QGAXUFYVQFXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-8-3-2-6-11(13)10-15-9-5-4-7-12(15)14(16)17/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3929628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).