1-Boc-4-Morpholin-4-ylmethyl-piperidine

Introduction

CAS No. :	340962-93-8	MDL No. :	MFCD16659738
Formula :	C15H28N2O3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HEBJLJUIVLSYED-UHFFFAOYSA-N
M.W :	284.39	Pubchem ID :	57449817
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.93
Num. rotatable bonds :	5
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	86.41
TPSA :	42.01 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) :	-6.96 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.58
Log Po/w (XLOGP3) :	1.52
Log Po/w (WLOGP) :	1.2
Log Po/w (MLOGP) :	1.4
Log Po/w (SILICOS-IT) :	1.52
Consensus Log Po/w :	1.85

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.23
Solubility :	1.67 mg/ml ; 0.00588 mol/l
Class :	Soluble
Log S (Ali) :	-2.01
Solubility :	2.77 mg/ml ; 0.00976 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.86
Solubility :	3.93 mg/ml ; 0.0138 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.74

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

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