Basic information
- CAS
34315-39-4- Standard SMILES
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cn1c(=O)c2[nH]cnc2n(C)c1=O- InChIKey
FCFDPVSGICFAKN-UHFFFAOYSA-N- Molecular formula
- C26H31N5O3
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.24268987
Names & identifiers
- Preferred name
- Piperidine, 4-(diphenylmethoxy)-1-methyl-, 8-chlorotheophylline (1:1)
- IUPAC
- 4-benzhydryloxy-1-methylpiperidine;1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
34315-39-44-(Diphenylmethoxy)-1-methylpiperidine 8-chlorotheophyllineDTXSID00187880Piperidine, 4-(diphenylmethoxy)-1-methyl-, 8-chlorotheophylline (1:1)RefChem:373287DTXCID601103711,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione--4-(diphenylmethoxy)-1-methylpiperidine (1/1)1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 4-(diphenylmethoxy)-1-methylpiperidine (1:1)
Database identifiers
- CAS
34315-39-4- PubChem CID
- 214816
- DTXSID
DTXSID00187880
Properties
Computed structural properties
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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