Basic information
- Standard SMILES
CN1CCN(c2cccc3c2C[C@H](N)CO3)CC1- InChIKey
JPBKRGNCULCUON-NSHDSACASA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
Names & identifiers
- Preferred name
- (S)-3-amino-5-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-1-benzopyran
- IUPAC
- (3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine
Names & synonyms
SCHEMBL4751796JPBKRGNCULCUON-NSHDSACASA-N(S)-3-amino-5-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-1-benzopyran(S)-3-amino-5-(4-methylpiperazin-1-yl)-3,4 dihydro-2H-1-benzopyran(S)-3-amino-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran
Database identifiers
- PubChem CID
- 11139461
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
57 records
Linked notes
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