Piperidine, 1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, phosphate (1:1)

HCID 201078

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Basic information

CAS: 3209-96-9
Standard SMILES: O=P(O)(O)O.c1ccc2c(CC(COCCN3CCCCC3)CC3CCCO3)cccc2c1
InChIKey: TWCYKNKQLSDURJ-UHFFFAOYSA-N
Molecular formula: C25H38NO6P
Average molar mass: 479.5 g/mol
Monoisotopic mass: 479.24367493

Names & identifiers

Preferred name: Piperidine, 1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, phosphate (1:1)
IUPAC: 1-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]piperidine;phosphoric acid

Names & synonyms

1-(2-(3-(1-Naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)piperidine phosphate (1:1)3209-96-9Piperidine, 1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)-, phosphate (1:1)RefChem:372951DTXSID10953972Phosphoric acid--1-(2-{2-[(naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propoxy}ethyl)piperidine (1/1)

Database identifiers

CAS: 3209-96-9
PubChem CID: 201078
DTXSID: DTXSID10953972

Properties

Computed structural properties

Topological polar surface area: 99.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 33
Formal charge: 0
Complexity: 486

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