Basic information
- Standard SMILES
CCOC(=O)C1(CN)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
ZHHUXUPSWGDSHD-UHFFFAOYSA-N- Molecular formula
- C15H21N5O2
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.16952493
Names & identifiers
- Preferred name
- ethyl 4-(aminomethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
- IUPAC
- ethyl 4-(aminomethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
Names & synonyms
ethyl 4-(aminomethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylateSCHEMBL392657ZHHUXUPSWGDSHD-UHFFFAOYSA-N1035346-39-4DB-334191
Database identifiers
- PubChem CID
- 57750365
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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