1-(Pyridin-2-yl)piperidin-4-amine

Introduction

CAS No. :	144465-94-1	MDL No. :	MFCD08061082
Formula :	C10H15N3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CZINLSYKXBADTA-UHFFFAOYSA-N
M.W :	177.25	Pubchem ID :	10197934
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.39
TPSA :	42.15 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.77
Log Po/w (XLOGP3) :	1.01
Log Po/w (WLOGP) :	0.63
Log Po/w (MLOGP) :	0.97
Log Po/w (SILICOS-IT) :	0.91
Consensus Log Po/w :	1.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.85
Solubility :	2.5 mg/ml ; 0.0141 mol/l
Class :	Very soluble
Log S (Ali) :	-1.48
Solubility :	5.81 mg/ml ; 0.0328 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.16
Solubility :	1.23 mg/ml ; 0.00697 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.22

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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