| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: 3-piperidinecarboxylic acid 3-piperidinecarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25137-00-2 , 498-95-3 , 498953 , 59-67-6 , 59045-82-8 , 60252-41-7 , 6034-80-6 , 851956-01-9 , 885949-15-5 , [25137-00-2] , [498-95-3] , [59045-82-8] , [6034-80-6]
"3-Piperidinecarboxylic acid, 98%"
(+/-)-3-PIPERIDINE CARBOXYLIC ACID
(+/-)-Piperidine-3-carboxylic acid
(+/-)-Piperidine-3-carboxylic acid(DL-Nipecotic acid)
(3S)-piperidine-3-carboxylic acid hydrochloride
(R)-Piperidine-3-carboxylicacidhydrochloride
(S)-(+)-3-Piperidinecarboxylic acid
(S)-(+)-Piperidine-3-carboxylic acid
(S)-Nipecotic acid hydrochloride
(S)-Piperidine-3-carboxylic acid
(S)-Piperidine-3-carboxylic acid hydrochloride
3-Piperidinecarboxylic acid, 97%+
3-piperidinecarboxylic acid; Piperidine-3-carboxylic acid; hexahydronicotinic acid
EINECS 207-873-9; LS-114607; Nipecotic acid; Piperidine-3-carboxylic acid
Piperidine-3-carboxylic acid 98%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.23 | 3 | -54.83 | 2 | 3 | 0 | 57 | 129.159 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 246 - 253 | Acros Organics |
| Mp [°C] | 247 - 249 | Acros Organics |
| Melting_Point | 253-257? | Alfa-Aesar |
| MP | 261° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 98.0% | APIChem |
| Melting_Point | ca 261? dec. | Alfa-Aesar |
| Melting_Point | ca 261° dec. | Alfa-Aesar |
| MP | ca 261°(dec) | Matrix Scientific |
| Therapy | GABA uptake inhibitor | SMDC Life and Maybridge (building blocks) |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash wit | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| UniProt Database Links | RAPL_STRHY | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | WO2000071506A2 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-6-E | Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic | Eukaryotes | 10 | 1.24 | Binding ≤ 10μM |
| SC6A1-2-E | GABA Transporter 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4960 | 0.83 | Binding ≤ 10μM |
| SC6A1-2-E | GABA Transporter 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.79 | Binding ≤ 10μM |
| S6A11-2-E | GABA Transporter 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6000 | 0.81 | Functional ≤ 10μM |
| S6A12-1-E | Betaine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.81 | Functional ≤ 10μM |
| S6A13-2-E | GABA Transporter 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6000 | 0.81 | Functional ≤ 10μM |
| SC6A1-1-E | GABA Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.81 | Functional ≤ 10μM |
| Z50597-4-O | Rattus Norvegicus (cluster #4 Of 5), Other | Other | 5200 | 0.82 | Binding ≤ 10μM |
| Z50597-7-O | Rattus Norvegicus (cluster #7 Of 12), Other | Other | 8000 | 0.79 | Functional ≤ 10μM |
| Z50597-7-O | Rattus Norvegicus (cluster #7 Of 12), Other | Other | 9880 | 0.78 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 10.1 | 1.24 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 10.1 | 1.24 | Binding ≤ 10μM |
| SC6A1_HUMAN | P30531 | GABA Transporter 1, Human | 8000 | 0.79 | Binding ≤ 10μM |
| SC6A1_RAT | P23978 | GABA Transporter 1, Rat | 1770 | 0.89 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 5200 | 0.82 | Binding ≤ 10μM |
| S6A12_RAT | P48056 | Betaine Transporter, Rat | 6000 | 0.81 | Functional ≤ 10μM |
| SC6A1_RAT | P23978 | GABA Transporter 1, Rat | 6000 | 0.81 | Functional ≤ 10μM |
| S6A13_RAT | P31646 | GABA Transporter 2, Rat | 6000 | 0.81 | Functional ≤ 10μM |
| S6A11_RAT | P31647 | GABA Transporter 3, Rat | 6000 | 0.81 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3800 | 0.84 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Amino acid transport across the plasma membrane | |
| G alpha (i) signalling events | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
