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[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride

[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride structure

CAS No:
28060-47-1
Formula:
C28H39Cl2N3O4
Chemical Name:
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride
Synonyms:
28060-47-1;DTXSID40950777;4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride;5-[(Azepan-1-yl)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate--hydrogen chloride (1/2)

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[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride Basic Attributes

Molecular Weight：

552.5 g/mol

Exact Mass：

551.2317621 g/mol

Characteristics

PSA：

78.6 Å²

Computed Properties

Molecular Weight:552.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:551.2317621
Monoisotopic Mass:551.2317621
Topological Polar Surface Area:78.6
Heavy Atom Count:37
Complexity:720
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride

Basic Attributes
Characteristics
Computed Properties
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