1-(2-Hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

Introduction

CAS No. :	52722-86-8	MDL No. :	MFCD01321174
Formula :	C11H23NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	STEYNUVPFMIUOY-UHFFFAOYSA-N
M.W :	201.31	Pubchem ID :	104301
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	62.09
TPSA :	43.7 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.2
Log Po/w (XLOGP3) :	0.68
Log Po/w (WLOGP) :	0.61
Log Po/w (MLOGP) :	0.93
Log Po/w (SILICOS-IT) :	1.2
Consensus Log Po/w :	1.12

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.38
Solubility :	8.31 mg/ml ; 0.0413 mol/l
Class :	Very soluble
Log S (Ali) :	-1.17
Solubility :	13.5 mg/ml ; 0.0669 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.56
Solubility :	5.48 mg/ml ; 0.0272 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.82

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P273-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335-H412	Packing Group:	N/A
GHS Pictogram:

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