1,3-DI(4-Piperidyl)-2-phenylpropane diphosphate

HCID 21667

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Basic information

CAS: 5498-01-1
Standard SMILES: O=P(O)(O)O.O=P(O)(O)O.c1ccc(C(CC2CCNCC2)CC2CCNCC2)cc1
InChIKey: JCPIRJPTYYRWAT-UHFFFAOYSA-N
Molecular formula: C19H36N2O8P2
Average molar mass: 482.4 g/mol
Monoisotopic mass: 482.19469011

Names & identifiers

Preferred name: 1,3-DI(4-Piperidyl)-2-phenylpropane diphosphate
IUPAC: 4-(2-phenyl-3-piperidin-4-ylpropyl)piperidine;phosphoric acid

Names & synonyms

1,3-DI(4-PIPERIDYL)-2-PHENYLPROPANE DIPHOSPHATE708YF76EZI5498-01-1Piperidine, 4,4'-(2-phenyltrimethylene)di-, phosphate (1:2)AC1L2ITJUNII-708YF76EZIDTXSID30274712Phosphoric acid--4,4'-(2-phenylpropane-1,3-diyl)dipiperidine (2/1)

Database identifiers

CAS: 5498-01-1
PubChem CID: 21667
DTXSID: DTXSID30274712
UNII: 708YF76EZI

Properties

Computed structural properties

Topological polar surface area: 180 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 303

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