(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate

C16H23NO2 — CID 3901493

IUPAC(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)C(C)C1C
InChIInChI=1S/C16H23NO2/c1-12-13(2)17(10-9-16(12)19-14(3)18)11-15-7-5-4-6-8-15/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyCESFOVNVFNXRAX-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.85
Rot. Bonds3

About (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate

(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate (PubChem CID 3901493) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate
PubChem CID3901493
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(Cc2ccccc2)C(C)C1C
InChIInChI=1S/C16H23NO2/c1-12-13(2)17(10-9-16(12)19-14(3)18)11-15-7-5-4-6-8-15/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyCESFOVNVFNXRAX-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate?
The IUPAC name of (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate (CID 3901493) is (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate is CC(=O)OC1CCN(Cc2ccccc2)C(C)C1C.
What is the InChIKey of (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate?
The InChIKey is CESFOVNVFNXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-13(2)17(10-9-16(12)19-14(3)18)11-15-7-5-4-6-8-15/h4-8,12-13,16H,9-11H2,1-3H3.
What are the key properties of (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate?
(1-benzyl-2,3-dimethylpiperidin-4-yl) acetate has a molecular weight of 261.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,3-dimethylpiperidin-4-yl) acetate is sourced from PubChem (CID 3901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).