Chemical Properties of Alphaprodine (CAS 77-20-3)

InChI

InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1

InChI Key

UVAZQQHAVMNMHE-CJNGLKHVSA-N

Formula

C16H23NO2

SMILES

CCC(=O)OC1(c2ccccc2)CCN(C)CC1C

Molecular Weight¹

261.36

CAS

77-20-3

Other Names

• 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester), cis-
• «alpha»-Prodine
• «alpha»-Prodinol
• Alphaprodin
• Nisentil
• Nisintil
• Prisilidene
• Prisilidin
• 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate, cis-
• 1,3-Dimethyl-4-phenyl-4-piperidinol propionate, cis-
• «alpha»-1,3-Dimethyl-4-phenyl-4-propionoxypiperidine
• «alpha»-1,3-Dimethyl-4-phenyl-4-piperidinyl propionate
• 1,3-Dimethyl-4-phenyl-4-propionoxypiperidine
• Prisilidine
• Propionic acid, «alpha»-1,3-dimethyl-4-phenyl-4-piperidyl ester
• 1,3-Dimethyl-4-phenyl-4-piperidinyl propionate, cis-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.807		Crippen Calculated Property
McVol	219.100	ml/mol	McGowan Calculated Property
Inp	[1777.00; 1792.00]
Inp	1788.00		NIST
Inp	1788.00		NIST
Inp	1777.00		NIST
Inp	1792.00		NIST

Similar Compounds

Find more compounds similar to Alphaprodine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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