2,2,6,6-Tetramethyl-4-piperidinol

Introduction

CAS No. :	2403-88-5	MDL No. :	MFCD00005983
Formula :	C9H19NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VDVUCLWJZJHFAV-UHFFFAOYSA-N
M.W :	157.25	Pubchem ID :	75471
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	51.22
TPSA :	32.26 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) :	-6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.21
Log Po/w (XLOGP3) :	0.9
Log Po/w (WLOGP) :	0.91
Log Po/w (MLOGP) :	1.22
Log Po/w (SILICOS-IT) :	1.52
Consensus Log Po/w :	1.35

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.38
Solubility :	6.53 mg/ml ; 0.0415 mol/l
Class :	Very soluble
Log S (Ali) :	-1.16
Solubility :	10.8 mg/ml ; 0.0688 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.03
Solubility :	1.48 mg/ml ; 0.0094 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.41

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3259
Hazard Statements:	H314-H317	Packing Group:	Ⅲ
GHS Pictogram:

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