4-Phenoxypiperidine

Introduction

CAS No. :	3202-33-3	MDL No. :	MFCD04114971
Formula :	C11H15NO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	KBYPITRKIJKGMD-UHFFFAOYSA-N
M.W :	177.24	Pubchem ID :	18878
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.76
TPSA :	21.26 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) :	-5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.3
Log Po/w (XLOGP3) :	2.02
Log Po/w (WLOGP) :	1.44
Log Po/w (MLOGP) :	1.73
Log Po/w (SILICOS-IT) :	2.27
Consensus Log Po/w :	1.95

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.42
Solubility :	0.672 mg/ml ; 0.00379 mol/l
Class :	Soluble
Log S (Ali) :	-2.09
Solubility :	1.43 mg/ml ; 0.00806 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.34
Solubility :	0.0803 mg/ml ; 0.000453 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.27

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H317-H319	Packing Group:
GHS Pictogram:

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