[phenyl(piperidin-2-yl)methyl] acetate

C14H19NO2 — CID 558526

IUPAC[phenyl(piperidin-2-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3
InChIKeyBKPLVPRTTWIDNL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds3

About [phenyl(piperidin-2-yl)methyl] acetate

[phenyl(piperidin-2-yl)methyl] acetate (PubChem CID 558526) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [phenyl(piperidin-2-yl)methyl] acetate.

Molecular Properties

Compound Name[phenyl(piperidin-2-yl)methyl] acetate
PubChem CID558526
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[phenyl(piperidin-2-yl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)C1CCCCN1
InChIInChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3
InChIKeyBKPLVPRTTWIDNL-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [phenyl(piperidin-2-yl)methyl] acetate 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 [phenyl(piperidin-2-yl)methyl] acetate?
The IUPAC name of [phenyl(piperidin-2-yl)methyl] acetate (CID 558526) is [phenyl(piperidin-2-yl)methyl] acetate.
What is the SMILES notation for [phenyl(piperidin-2-yl)methyl] acetate?
The canonical SMILES for [phenyl(piperidin-2-yl)methyl] acetate is CC(=O)OC(c1ccccc1)C1CCCCN1.
What is the InChIKey of [phenyl(piperidin-2-yl)methyl] acetate?
The InChIKey is BKPLVPRTTWIDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3.
What are the key properties of [phenyl(piperidin-2-yl)methyl] acetate?
[phenyl(piperidin-2-yl)methyl] acetate has a molecular weight of 233.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(piperidin-2-yl)methyl] acetate is sourced from PubChem (CID 558526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).