Chemical Properties of Ketobemidone (CAS 469-79-4)

InChI

InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3

InChI Key

ALFGKMXHOUSVAD-UHFFFAOYSA-N

Formula

C15H21NO2

SMILES

CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1

Molecular Weight¹

247.33

CAS

469-79-4

Other Names

1-Propanone, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]-
1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]-
A 21 Lundbeck
Cetobemidon
Cetobemidone
Ciba 7115
Cliradon
Cliradone
Cymidon
Hoechst 10720
K 4710
Win 1539
Ethyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone
Ketone, ethyl 4-(m-hydroxyphenyl)-1-methylpiperidyl
1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone
4-(m-Hydroxyphenyl)-1-methyl-4-propionylpiperidine
4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl ethyl ketone
NSC 117863

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.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-2.17		Crippen Calculated Property
logP_oct/wat	2.335		Crippen Calculated Property
McVol	205.010	ml/mol	McGowan Calculated Property
I_np	[2035.00; 2060.00]
I_np	2060.00		NIST
I_np	2035.00		NIST
I_np	2035.00		NIST
I_np	2060.00		NIST
I_np	2035.00		NIST

Similar Compounds

Find more compounds similar to Ketobemidone.

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