UCSF

ZINC00004285

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 13 Yes

Other Names:

"1-(3-Chlorophenyl)piperazine hydrochloride, 98%"

(m-CPP); 1-(3-Chlorophenyl)piperazine; m-Chlorophenylpiperazine

1-(3-Chlorophenyl) piperazine

1-(3-chlorophenyl)-piperazine monohydrochloride

1-(3-Chlorophenyl)piperazine

1-(3-chlorophenyl)piperazine dihydrochloride

1-(3-Chlorophenyl)piperazine HCl

1-(3-Chlorophenyl)piperazine hydrochloride, 97%

1-(3-Chlorophenyl)piperazine hydrochloride, 98%+

1-(3-Chlorophenyl)piperazine hydrochloride; 1-(3-Chlorophenyl)piperazine monohydrochloride; 1-(3-Chlorophenyl)piperazinium chloride; 1-(m-Chlorophenyl)piperazine hydrochloride; C10H13ClN2.HCl; EINECS 235-976-9; LS-111322; Piperazine, 1-(3-chlorophenyl)-,

1-(3-Chlorophenyl)piperazine monohydrochloride

1-(3-Chlorophenyl)piperazine monohydrochloride, 97%

1-(3-Chlorophenyl)piperazine, HCl

1-(3-Chlorophenyl)piperazine; 1-(m-Chlorophenyl)piperazine; 1-3-CPP; 3-chlorophenylpiperazine; C10H13ClN2; CPP; EINECS 229-654-7; LS-107647; NSC 49307; m-CPP; meta-chlorophenylpiperazine

1-(3-Chlorophenyl)piperazine; 6640-24-0; C11738; m-Chlorophenylpiperazine; mCPP

1-(3-Chlorophenyl)piperazinedihydrochloride

1-(3-Chlorophenyl)piperazinehydrochloride

1-(3-CHLOROPHENYL)PIPERAZINIUM CHLORIDE

1-(m-Chlorophenyl)piperazine hydrochloride

3-Chlorophenyl piperazine

3-Chlorophenylpiperazine

AM-1946

BRD-K75844781-001-01-9

CHLOROPHENYLPIPERAZINE

CHLOROPHENYLPIPERAZINEDIHYDROCHLORID

DNC003584

m-chlorophenylpiperazine (m-CPP)

m-CPP

MFCD00012764

MFCD00039032

MFCD00040732

MFCD08061930

NA

Piperazine, 1-(3-chlorophenyl)-

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 1.99 4.99 -43.48 2 2 1 20 197.689 1
Hi High (pH 8-9.5) 1.99 3.68 -3.14 1 2 0 15 196.681 1

Vendor Notes

Note Type Comments Provided By
melting_point 210 KeyOrganics
Melting_Point 210-214? dec. Alfa-Aesar
MP 210-214°(dec.) Oakwood Chemical
Purity 95+% Matrix Scientific
Melting_Point ca 214? dec. Alfa-Aesar
Melting_Point ca 214° dec. Alfa-Aesar
Patent Database Links EP1829534 ChEBI
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics
Purity ¡Ý99% APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-4-E Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
5HT1B-1-E Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 75 0.77 Binding ≤ 10μM
5HT1D-2-E Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
5HT1F-1-E Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 25 0.82 Binding ≤ 10μM
5HT2A-1-E Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.77 Binding ≤ 10μM
5HT2B-2-E Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 32 0.81 Binding ≤ 10μM
5HT2C-2-E Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 9 0.87 Binding ≤ 10μM
5HT3A-2-E Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic Eukaryotes 62 0.78 Binding ≤ 10μM
5HT3B-2-E Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 62 0.78 Binding ≤ 10μM
5HT3C-2-E Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 62 0.78 Binding ≤ 10μM
5HT3D-2-E Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 62 0.78 Binding ≤ 10μM
5HT3E-2-E Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 62 0.78 Binding ≤ 10μM
5HT5A-1-E Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.54 Binding ≤ 10μM
5HT6R-1-E Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.61 Binding ≤ 10μM
5HT7R-1-E Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 304 0.70 Binding ≤ 10μM
ADRB1-1-E Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.61 Binding ≤ 10μM
SGMR1-4-E Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic Eukaryotes 6150 0.56 Binding ≤ 10μM
5HT2A-1-E Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 75 0.77 Functional ≤ 10μM
5HT2B-2-E Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 287 0.70 Functional ≤ 10μM
5HT2C-2-E 5-hydroxytryptamine Receptor 2C (cluster #2 Of 2), Eukaryotic Eukaryotes 26 0.82 Functional ≤ 10μM
Z104304-2-O Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other Other 236 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 236 0.71 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 130 0.74 Binding ≤ 1μM
5HT1B_RAT P28564 Serotonin 1b (5-HT1b) Receptor, Rat 25 0.82 Binding ≤ 1μM
5HT1D_RAT P28565 Serotonin 1d (5-HT1d) Receptor, Rat 25 0.82 Binding ≤ 1μM
5HT1F_RAT P30940 Serotonin 1f (5-HT1f) Receptor, Rat 25 0.82 Binding ≤ 1μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 48 0.79 Binding ≤ 1μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 40 0.80 Binding ≤ 1μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 24 0.82 Binding ≤ 1μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 40 0.80 Binding ≤ 1μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 17 0.84 Binding ≤ 1μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 40 0.80 Binding ≤ 1μM
5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 62 0.78 Binding ≤ 1μM
5HT3B_HUMAN O95264 Serotonin 3b (5-HT3b) Receptor, Human 62 0.78 Binding ≤ 1μM
5HT3C_HUMAN Q8WXA8 Serotonin 3c (5-HT3c) Receptor, Human 62 0.78 Binding ≤ 1μM
5HT3D_HUMAN Q70Z44 Serotonin 3d (5-HT3d) Receptor, Human 62 0.78 Binding ≤ 1μM
5HT3E_HUMAN A5X5Y0 Serotonin 3e (5-HT3e) Receptor, Human 62 0.78 Binding ≤ 1μM
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 304 0.70 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 236 0.71 Binding ≤ 10μM
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 2000 0.61 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 130 0.74 Binding ≤ 10μM
5HT1B_RAT P28564 Serotonin 1b (5-HT1b) Receptor, Rat 25 0.82 Binding ≤ 10μM
5HT1D_RAT P28565 Serotonin 1d (5-HT1d) Receptor, Rat 25 0.82 Binding ≤ 10μM
5HT1F_RAT P30940 Serotonin 1f (5-HT1f) Receptor, Rat 25 0.82 Binding ≤ 10μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 48 0.79 Binding ≤ 10μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 40 0.80 Binding ≤ 10μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 24 0.82 Binding ≤ 10μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 40 0.80 Binding ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 17 0.84 Binding ≤ 10μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 40 0.80 Binding ≤ 10μM
5HT3A_HUMAN P46098 Serotonin 3a (5-HT3a) Receptor, Human 62 0.78 Binding ≤ 10μM
5HT3B_HUMAN O95264 Serotonin 3b (5-HT3b) Receptor, Human 62 0.78 Binding ≤ 10μM
5HT3C_HUMAN Q8WXA8 Serotonin 3c (5-HT3c) Receptor, Human 62 0.78 Binding ≤ 10μM
5HT3D_HUMAN Q70Z44 Serotonin 3d (5-HT3d) Receptor, Human 62 0.78 Binding ≤ 10μM
5HT3E_HUMAN A5X5Y0 Serotonin 3e (5-HT3e) Receptor, Human 62 0.78 Binding ≤ 10μM
5HT5A_MOUSE P30966 Serotonin 5a (5-HT5a) Receptor, Mouse 8700 0.54 Binding ≤ 10μM
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 2300 0.61 Binding ≤ 10μM
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 304 0.70 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 6150 0.56 Binding ≤ 10μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 167 0.73 Functional ≤ 10μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 125 0.74 Functional ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 15 0.84 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (s) signalling events
Ligand-gated ion channel transport
Serotonin receptors

Analogs ( Draw Identity 99% 90% 80% 70% )