1-(Pyridin-4-yl)piperidin-4-ol

Introduction

CAS No. :	130658-65-0	MDL No. :	MFCD08437501
Formula :	C10H14N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DMQVSUISDOVWEW-UHFFFAOYSA-N
M.W :	178.23	Pubchem ID :	23447619
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 :	54.85
TPSA :	36.36 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) :	-6.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.58
Log Po/w (XLOGP3) :	0.84
Log Po/w (WLOGP) :	0.66
Log Po/w (MLOGP) :	0.56
Log Po/w (SILICOS-IT) :	1.14
Consensus Log Po/w :	0.96

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.75
Solubility :	3.17 mg/ml ; 0.0178 mol/l
Class :	Very soluble
Log S (Ali) :	-1.19
Solubility :	11.6 mg/ml ; 0.0651 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.94
Solubility :	2.04 mg/ml ; 0.0114 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.77

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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