1-Phenylpiperidin-4-ol

Introduction

CAS No. :	117896-69-2	MDL No. :	MFCD02093533
Formula :	C11H15NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FMHLUYMKOSEANZ-UHFFFAOYSA-N
M.W :	177.24	Pubchem ID :	2737154
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	57.05
TPSA :	23.47 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.98
Log Po/w (XLOGP3) :	2.94
Log Po/w (WLOGP) :	1.27
Log Po/w (MLOGP) :	1.73
Log Po/w (SILICOS-IT) :	1.68
Consensus Log Po/w :	1.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.07
Solubility :	0.152 mg/ml ; 0.000858 mol/l
Class :	Soluble
Log S (Ali) :	-3.09
Solubility :	0.142 mg/ml ; 0.000804 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.31
Solubility :	0.862 mg/ml ; 0.00486 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.6

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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