Back to Search
Molecule
N-4-Piperidinylbenzamide
CAS: 33953-37-6 · C12H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33953-37-6
- Molecular Formula
- C12H16N2O
- Molecular Mass
- 204.27 g/mol
Identifiers
CAS Registry Number
33953-37-6
SMILES
OC(=NC1CCNCC1)c1ccccc1
InChI Key
JMQDNLCNCDSHNC-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H,14,15)
Names and Synonyms
- N-4-Piperidinylbenzamide Synonym
- Benzamide, N-4-piperidinyl- Synonym
- Benzamide, N-4-piperidyl- Synonym
- N-4-Piperidinylbenzamide Synonym
- 4-Benzamidopiperidine Synonym
- N-(4-Piperidinyl)benzamide Synonym
- 4-(Phenylcarboxamido)piperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.27 g/mol | CAS Common Chemistry |
| 204.27300000000005 g/mol | RDKit | |
| 204.273 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1CCNCC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H16N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=JMQDNLCNCDSHNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-4-Piperidinylbenzamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| 44.62 Ų | RDKit | |
| LogP | 1.7432 | RDKit |
| Molar Refractivity | 61.49950000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 204.126263132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 204.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H16N2O.
1H-Indole-3-methanamine, 5-methoxy-N,N-dimethyl-
CAS 16620-52-3
Benzaldehyde, 4-(4-methyl-1-piperazinyl)-
CAS 27913-99-1
1H-Indole-3-ethanamine, 5-methoxy-α-methyl-
CAS 1137-04-8
Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-
CAS 119-95-9
1-(6-Amino-3,3-dimethyl-2H-indol-1-yl)ethanone
CAS 453562-71-5
(-)-N-Methylcytisine
CAS 486-86-2
