(1-methylpiperidin-3-yl) 2-methoxybenzoate

C14H19NO3 — CID 2911592

IUPAC(1-methylpiperidin-3-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1CCCN(C)C1
InChIInChI=1S/C14H19NO3/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyFOXBUUKKUYZFBW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds3

About (1-methylpiperidin-3-yl) 2-methoxybenzoate

(1-methylpiperidin-3-yl) 2-methoxybenzoate (PubChem CID 2911592) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-methoxybenzoate
PubChem CID2911592
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-methylpiperidin-3-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1CCCN(C)C1
InChIInChI=1S/C14H19NO3/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyFOXBUUKKUYZFBW-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-methoxybenzoate?
The IUPAC name of (1-methylpiperidin-3-yl) 2-methoxybenzoate (CID 2911592) is (1-methylpiperidin-3-yl) 2-methoxybenzoate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-methoxybenzoate?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-methoxybenzoate is COc1ccccc1C(=O)OC1CCCN(C)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-methoxybenzoate?
The InChIKey is FOXBUUKKUYZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl) 2-methoxybenzoate?
(1-methylpiperidin-3-yl) 2-methoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-methoxybenzoate is sourced from PubChem (CID 2911592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).