(1-methylpiperidin-4-yl)methyl benzoate

C14H19NO2 — CID 57466666

IUPAC(1-methylpiperidin-4-yl)methyl benzoate
SMILESCN1CCC(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-7-12(8-10-15)11-17-14(16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYVIQZMFGLFXNHC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds3

About (1-methylpiperidin-4-yl)methyl benzoate

(1-methylpiperidin-4-yl)methyl benzoate (PubChem CID 57466666) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl benzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl benzoate
PubChem CID57466666
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-methylpiperidin-4-yl)methyl benzoate
SMILESCN1CCC(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-7-12(8-10-15)11-17-14(16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyYVIQZMFGLFXNHC-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpiperidin-4-yl)methyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl benzoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl benzoate (CID 57466666) is (1-methylpiperidin-4-yl)methyl benzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl benzoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl benzoate is CN1CCC(COC(=O)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl benzoate?
The InChIKey is YVIQZMFGLFXNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-7-12(8-10-15)11-17-14(16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl benzoate?
(1-methylpiperidin-4-yl)methyl benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl benzoate is sourced from PubChem (CID 57466666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).