2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate

C17H26N2O2 — CID 155075976

IUPAC2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
SMILESCN(C)c1ccccc1C(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,13-9-11-18-12-10-13)21-16(20)14-7-5-6-8-15(14)19(3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeySJHHXWUHXBEVLD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate

2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate (PubChem CID 155075976) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
PubChem CID155075976
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
SMILESCN(C)c1ccccc1C(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,13-9-11-18-12-10-13)21-16(20)14-7-5-6-8-15(14)19(3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeySJHHXWUHXBEVLD-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)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 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate (CID 155075976) is 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate is CN(C)c1ccccc1C(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate?
The InChIKey is SJHHXWUHXBEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,13-9-11-18-12-10-13)21-16(20)14-7-5-6-8-15(14)19(3)4/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate?
2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate has a molecular weight of 290.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate is sourced from PubChem (CID 155075976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).