Basic information
- CAS
3688-96-8- Standard SMILES
OCCN1CCN(CCCN2c3ccccc3CCc3ccccc32)CC1- InChIKey
BQEOSMDPXWVFFD-UHFFFAOYSA-N- Molecular formula
- C23H31N3O
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.24671262
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-
- IUPAC
- 2-[4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazin-1-yl]ethanol
- English name
- 4-[3-(10,11-Dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol
- Molecular formula
- C23H31N3O
- Molecular weight
- 0
Names & synonyms
3688-96-8G2JT3QX8NF1-Piperazineethanol, 4-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-NSC-169474RP-83074-((10,11-Dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-1-piperazineethanolDTXSID90190363NSC-2376504-[3-(10,11-Dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol4-(3-(10,11-Dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-1-piperazineethanolRefChem:1056564DTXCID00112854
Show more names
RP 8307MLS003106715NSC 169474BRN 0899011UNII-G2JT3QX8NF2-[4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazin-1-yl]ethanolCHEMBL2130678NSC169474
Database identifiers
- CAS
3688-96-8- PubChem CID
- 77271
- DTXSID
DTXSID90190363- ChEMBL
CHEMBL2130678
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- FDA UNII
- 2 JT3QX8NF · G2JT3QX8NF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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