Terephthalamide, N,N'-bis(4-piperidylmethyl)-, hydrate
Basic information
- CAS
15234-94-3- Standard SMILES
O=C(NCC1(c2ccccc2)CCNCC1)c1ccc(C(=O)NCC2(c3ccccc3)CCNCC2)cc1- InChIKey
OQOHSEFQJOYGPY-UHFFFAOYSA-N- Molecular formula
- C32H38N4O2
- Average molar mass
- 510.7 g/mol
- Monoisotopic mass
- 510.29947647
Names & identifiers
- Preferred name
- Terephthalamide, N,N'-bis(4-piperidylmethyl)-, hydrate
- IUPAC
- 1-N,4-N-bis[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Names & synonyms
Terephthalamide, N,N'-bis(4-piperidylmethyl)-, hydrateN,N'-(4-Phenyl-4-piperidylmethyl)terephthalamide hydrate15234-94-3RefChem:382880DTXSID40934476N~1~,N~4~-Bis[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
Database identifiers
- CAS
15234-94-3- PubChem CID
- 203804
- DTXSID
DTXSID40934476
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 689
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