4-(Pyridin-2-yl)morpholine

Introduction

CAS No. :	24255-25-2	MDL No. :	MFCD01143321
Formula :	C9H12N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XHPVOSNOIWGRQQ-UHFFFAOYSA-N
M.W :	164.20	Pubchem ID :	10964853
Synonyms :

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) :	-6.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.82
Log Po/w (XLOGP3) :	1.02
Log Po/w (WLOGP) :	0.54
Log Po/w (MLOGP) :	0.66
Log Po/w (SILICOS-IT) :	1.5
Consensus Log Po/w :	1.11

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.8
Solubility :	2.57 mg/ml ; 0.0157 mol/l
Class :	Very soluble
Log S (Ali) :	-1.14
Solubility :	11.8 mg/ml ; 0.0721 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 :	1.82

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

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