UCSF

ZINC19358818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 10 Yes

Popular Name: 1-Methyl-2-piperidin-1-yl-ethylamine 1-Methyl-2-piperidin-1-yl-ethyla…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34217-60-2 , 486414-49-7 , [34217-60-2]

Download: MOL2 SDF SMILES Flexibase

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) 0.46 3.63 -112.83 4 2 2 32 144.262 2 ↓
Mid Mid (pH 6-8) 0.46 1.84 -38.12 3 2 1 31 143.254 2 ↓
Mid Mid (pH 6-8) 0.46 3.41 -29.27 3 2 1 30 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 199.5°/760mmHg Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.