4-Morpholinobutan-1-ol

Introduction

CAS No. :	5835-79-0	MDL No. :	MFCD03211280
Formula :	C8H17NO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	URFFPMJFOHTCLI-UHFFFAOYSA-N
M.W :	159.23	Pubchem ID :	16641259
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	47.51
TPSA :	32.7 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.33 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.1
Log Po/w (XLOGP3) :	-0.08
Log Po/w (WLOGP) :	-0.29
Log Po/w (MLOGP) :	0.02
Log Po/w (SILICOS-IT) :	1.12
Consensus Log Po/w :	0.57

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.51
Solubility :	48.9 mg/ml ; 0.307 mol/l
Class :	Very soluble
Log S (Ali) :	-0.15
Solubility :	111.0 mg/ml ; 0.7 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.1
Solubility :	12.7 mg/ml ; 0.0798 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.58

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H302-H319	Packing Group:
GHS Pictogram:

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