Piperidine, 1-((2,3-dihydro-5-phenyl-1-benzothiepin-4-yl)methyl)-, hydrochloride
Basic information
- CAS
21728-67-6- Standard SMILES
Cl.c1ccc(C2=C(CN3CCCCC3)CCSc3ccccc32)cc1- InChIKey
ZGIGMUOJCIYAHE-UHFFFAOYSA-N- Molecular formula
- C22H26ClNS
- Average molar mass
- 372 g/mol
- Monoisotopic mass
- 371.1474487
Names & identifiers
- Preferred name
- Piperidine, 1-((2,3-dihydro-5-phenyl-1-benzothiepin-4-yl)methyl)-, hydrochloride
- IUPAC
- 1-[(5-phenyl-2,3-dihydro-1-benzothiepin-4-yl)methyl]piperidine;hydrochloride
Names & synonyms
21728-67-6Piperidine, 1-((2,3-dihydro-5-phenyl-1-benzothiepin-4-yl)methyl)-, hydrochlorideDTXSID001761184-(Piperidinomethyl)-5-phenyl-2,3-dihydro-1-benzothiepin hydrochloride1-((2,3-Dihydro-5-phenyl-1-benzothiepin-4-yl)methyl)piperidine hydrochlorideRefChem:372821DTXCID80986091-[(5-Phenyl-2,3-dihydro-1-benzothiepin-4-yl)methyl]piperidine--hydrogen chloride (1/1)
Database identifiers
- CAS
21728-67-6- PubChem CID
- 210832
- DTXSID
DTXSID00176118
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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