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Pipecolic Acid
CAS: 535-75-1 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
535-75-1
Molecular Formula:
C6H11NO2
Molecular Mass:
129.16 g/mol
Names and Synonyms:
Pipecolic Acid
2-Piperidinecarboxylic acid
Pipecolic acid
Dihydrobaikiane
Hexahydro-2-picolinic acid
Homoproline
Pipecolinic acid
α-Pipecolinic acid
Piperolinic acid
2-Carboxypiperidine
DL-Pipecolic acid
(±)-2-Piperidinecarboxylic acid
DL-2-Piperidinecarboxylic acid
(±)-Pipecolinic acid
(±)-Pipecolic acid
(RS)-2-Piperidinecarboxylic acid
DL-Pipecolinic acid
NSC 17125
2-Pipecolinic acid
2-Piperidinylcarboxylic acid
Piperidine-6-carboxylic acid
Identifiers:
SMILES:
O=C(O)C1CCCCN1
InChI:
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
Key Properties
Melting Point
264 °C
CAS Common Chemistry
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 | 129.16 g/mol | CAS Common Chemistry |
| 129.15900000000002 g/mol | RDKit | |
| 129.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=HXEACLLIILLPRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 264 °C | CAS Common Chemistry |
| Name | Pipecolic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 0.21310000000000012 | RDKit |
| Molar Refractivity | 33.27749999999999 | RDKit |
