4-Methoxy-2,2,6,6-tetramethyl-1-piperidinyloxy

Introduction

CAS No. :	95407-69-5	MDL No. :	MFCD00270334
Formula :	C10H20NO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	186.27	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.67
TPSA :	12.47 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-3.61
Log Po/w (XLOGP3) :	1.35
Log Po/w (WLOGP) :	1.62
Log Po/w (MLOGP) :	1.45
Log Po/w (SILICOS-IT) :	0.97
Consensus Log Po/w :	0.36

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.78
Solubility :	3.1 mg/ml ; 0.0166 mol/l
Class :	Very soluble
Log S (Ali) :	-1.21
Solubility :	11.4 mg/ml ; 0.0611 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.46
Solubility :	6.53 mg/ml ; 0.0351 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.9

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

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