4-(4-Fluorophenyl)piperidin-4-ol hydrochloride

Introduction

CAS No. :	3929-30-4	MDL No. :	MFCD06795784
Formula :	C11H15ClFNO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XWAMSNBDXDQRRN-UHFFFAOYSA-N
M.W :	231.69	Pubchem ID :	2759099
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	63.21
TPSA :	32.26 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 :	No
Log Kp (skin permeation) :	-6.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.85
Log Po/w (WLOGP) :	2.13
Log Po/w (MLOGP) :	2.15
Log Po/w (SILICOS-IT) :	2.61
Consensus Log Po/w :	1.75

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.67
Solubility :	0.493 mg/ml ; 0.00213 mol/l
Class :	Soluble
Log S (Ali) :	-2.15
Solubility :	1.65 mg/ml ; 0.00711 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.53
Solubility :	0.0679 mg/ml ; 0.000293 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.51

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

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