2,5-Dimethyl-1-(1-methyl-4-piperidinyl)-1H-pyrrole-3-carboxaldehyde
Basic information
- CAS
1096840-98-0- Standard SMILES
Cc1cc(C=O)c(C)n1C1CCN(C)CC1- InChIKey
MKZYIUSAYCRBND-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-(1-methyl-4-piperidinyl)-1H-pyrrole-3-carboxaldehyde
- IUPAC
- 2,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrrole-3-carbaldehyde
Names & synonyms
SCHEMBL21225684DTXSID3011616162,5-Dimethyl-1-(1-methyl-4-piperidinyl)-1H-pyrrole-3-carboxaldehyde1096840-98-02,5-Dimethyl-1-(1-methylpiperidin-4-yl)-1H-pyrrole-3-carbaldehyde
Database identifiers
- CAS
1096840-98-0- PubChem CID
- 43373530
- DTXSID
DTXSID301161616
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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