Back to Search
2-Bromo-4-(1-Piperidinylmethyl)Pyridine
CAS: 88046-02-0 | C11H15BrN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
88046-02-0
Molecular Formula:
C11H15BrN2
Molecular Mass:
255.16 g/mol
Names and Synonyms:
2-Bromo-4-(1-Piperidinylmethyl)Pyridine
Pyridine, 2-bromo-4-(1-piperidinylmethyl)-
2-Bromo-4-(1-piperidinylmethyl)pyridine
2-Bromo-4-[(piperidin-1-yl)methyl]pyridine
Identifiers:
SMILES:
Brc1cc(CN2CCCCC2)ccn1
InChI:
InChI=1S/C11H15BrN2/c12-11-8-10(4-5-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.16 g/mol | CAS Common Chemistry |
| 255.15899999999993 g/mol | RDKit | |
| 254.04186058 g/mol | RDKit | |
| Canonical SMILES | BrC1=NC=CC(=C1)CN2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H15BrN2/c12-11-8-10(4-5-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZTUBSWOWTOUXJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromo-4-(1-piperidinylmethyl)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 16.130000000000003 Ų | RDKit |
| LogP | 2.830000000000001 | RDKit |
| Molar Refractivity | 61.065000000000026 | RDKit |
