(1-benzyl-3-methylpiperidin-4-yl) acetate

C15H21NO2 — CID 23003654

IUPAC(1-benzyl-3-methylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-12-10-16(9-8-15(12)18-13(2)17)11-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyHSCSSFSULCDDCS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds3

About (1-benzyl-3-methylpiperidin-4-yl) acetate

(1-benzyl-3-methylpiperidin-4-yl) acetate (PubChem CID 23003654) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-benzyl-3-methylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-benzyl-3-methylpiperidin-4-yl) acetate
PubChem CID23003654
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1-benzyl-3-methylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C15H21NO2/c1-12-10-16(9-8-15(12)18-13(2)17)11-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3
InChIKeyHSCSSFSULCDDCS-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-3-methylpiperidin-4-yl) 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 (1-benzyl-3-methylpiperidin-4-yl) acetate?
The IUPAC name of (1-benzyl-3-methylpiperidin-4-yl) acetate (CID 23003654) is (1-benzyl-3-methylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-benzyl-3-methylpiperidin-4-yl) acetate?
The canonical SMILES for (1-benzyl-3-methylpiperidin-4-yl) acetate is CC(=O)OC1CCN(Cc2ccccc2)CC1C.
What is the InChIKey of (1-benzyl-3-methylpiperidin-4-yl) acetate?
The InChIKey is HSCSSFSULCDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-10-16(9-8-15(12)18-13(2)17)11-14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of (1-benzyl-3-methylpiperidin-4-yl) acetate?
(1-benzyl-3-methylpiperidin-4-yl) acetate has a molecular weight of 247.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylpiperidin-4-yl) acetate is sourced from PubChem (CID 23003654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).