UCSF

ZINC19090841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 9 No

Popular Name: 1-Methylpiperidine-4-carbaldehyde 1-Methylpiperidine-4-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1107639-19-9 , 50675-21-3 , [50675-21-3]

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) 0.94 4.36 -40.32 1 2 1 22 128.195 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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