4-(Pyridin-4-yl)morpholine

Introduction

CAS No. :	2767-91-1	MDL No. :	MFCD00704054
Formula :	C9H12N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QJWQYVJVCXMTJP-UHFFFAOYSA-N
M.W :	164.20	Pubchem ID :	4145413
Synonyms :		Chemical Name :	4-(Pyridin-4-yl)morpholine

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.44
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	49.96
TPSA :	25.36 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.88 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.7
Log Po/w (XLOGP3) :	0.6
Log Po/w (WLOGP) :	0.54
Log Po/w (MLOGP) :	0.26
Log Po/w (SILICOS-IT) :	1.5
Consensus Log Po/w :	0.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.54
Solubility :	4.73 mg/ml ; 0.0288 mol/l
Class :	Very soluble
Log S (Ali) :	-0.71
Solubility :	32.3 mg/ml ; 0.197 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.2
Solubility :	1.03 mg/ml ; 0.0063 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.45

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

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