4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Basic information
- CAS
378219-96-6- Standard SMILES
CC1CCN(c2ncnc3c2[nH]c2ccccc23)CC1- InChIKey
GOMKLZFUKLYLQI-UHFFFAOYSA-N- Molecular formula
- C16H18N4
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.15314659
Names & identifiers
- Preferred name
- 4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
- IUPAC
- 4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Names & synonyms
4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indoleDTXSID801223574STK537191AKOS005467959378219-96-64-(4-Methyl-1-piperidinyl)-5H-pyrimido[5,4-b]indole
Database identifiers
- CAS
378219-96-6- PubChem CID
- 921179
- DTXSID
DTXSID801223574
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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