1-(5-Aminopyridin-2-yl)piperidin-4-ol

Introduction

CAS No. :	476342-37-7	MDL No. :	MFCD09728697
Formula :	C10H15N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	JFSQCTGGZLCLFF-UHFFFAOYSA-N
M.W :	193.25	Pubchem ID :	16781994
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	59.25
TPSA :	62.38 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) :	-7.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.27
Log Po/w (XLOGP3) :	0.5
Log Po/w (WLOGP) :	0.25
Log Po/w (MLOGP) :	0.38
Log Po/w (SILICOS-IT) :	0.38
Consensus Log Po/w :	0.56

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.6
Solubility :	4.81 mg/ml ; 0.0249 mol/l
Class :	Very soluble
Log S (Ali) :	-1.38
Solubility :	8.06 mg/ml ; 0.0417 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.59
Solubility :	4.99 mg/ml ; 0.0258 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.26

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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