Basic information
- Standard SMILES
c1cc(OCCCN2CCCCC2)ccc1CN1CCCNCC1- InChIKey
YMZOIYUMEJMZQO-UHFFFAOYSA-N- Molecular formula
- C20H33N3O
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.26236269
Names & identifiers
- Preferred name
- 1-[4-(3-Piperidin-1-yl-propoxy)-benzyl]-[1,4]diazepane
- IUPAC
- 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,4-diazepane
Names & synonyms
SCHEMBL3580281YMZOIYUMEJMZQO-UHFFFAOYSA-N1-[4-(3-Piperidin-1-yl-propoxy)-benzyl]-[1,4]diazepane
Database identifiers
- PubChem CID
- 59640592
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 325
Related reactions
6 records
Compound notes
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