(1-benzylpiperidin-4-yl) acetate

C14H19NO2 — CID 11959668

IUPAC(1-benzylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-12(16)17-14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyKSCLJFFUEGGQKO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds3

About (1-benzylpiperidin-4-yl) acetate

(1-benzylpiperidin-4-yl) acetate (PubChem CID 11959668) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) acetate
PubChem CID11959668
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-benzylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-12(16)17-14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyKSCLJFFUEGGQKO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzylpiperidin-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-benzylpiperidin-4-yl) acetate?
The IUPAC name of (1-benzylpiperidin-4-yl) acetate (CID 11959668) is (1-benzylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) acetate?
The canonical SMILES for (1-benzylpiperidin-4-yl) acetate is CC(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) acetate?
The InChIKey is KSCLJFFUEGGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(16)17-14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl) acetate?
(1-benzylpiperidin-4-yl) acetate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) acetate is sourced from PubChem (CID 11959668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).