6-(Piperidin-4-yl)pyridin-2-amine dihydrochloride

Introduction

CAS No. :	2044704-47-2	MDL No. :	MFCD30475863
Formula :	C10H17Cl2N3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FPFNSNIGRDQOGR-UHFFFAOYSA-N
M.W :	250.17	Pubchem ID :	122173583
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
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 :	71.37
TPSA :	50.94 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.25
Log Po/w (WLOGP) :	2.36
Log Po/w (MLOGP) :	1.54
Log Po/w (SILICOS-IT) :	1.48
Consensus Log Po/w :	1.53

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.04
Solubility :	0.229 mg/ml ; 0.000915 mol/l
Class :	Soluble
Log S (Ali) :	-2.96
Solubility :	0.277 mg/ml ; 0.00111 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.87
Solubility :	0.336 mg/ml ; 0.00134 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.95

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

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