1,2,2,6,6-Pentamethylpiperidin-4-ol

Introduction

CAS No. :	2403-89-6	MDL No. :	MFCD00191220
Formula :	C10H21NO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NWHNXXMYEICZAT-UHFFFAOYSA-N
M.W :	171.28	Pubchem ID :	75472
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.12
TPSA :	23.47 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) :	-6.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.33
Log Po/w (XLOGP3) :	1.37
Log Po/w (WLOGP) :	1.25
Log Po/w (MLOGP) :	1.52
Log Po/w (SILICOS-IT) :	1.43
Consensus Log Po/w :	1.58

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.77
Solubility :	2.94 mg/ml ; 0.0172 mol/l
Class :	Very soluble
Log S (Ali) :	-1.47
Solubility :	5.86 mg/ml ; 0.0342 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.71
Solubility :	3.36 mg/ml ; 0.0196 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280	UN#:
Hazard Statements:	H317	Packing Group:
GHS Pictogram:

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