1-(4-Aminopiperidin-1-yl)ethanone hydrochloride

Introduction

CAS No. :	214147-48-5	MDL No. :	MFCD08690151
Formula :	C7H15ClN2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	AWKOGAFRLOPNOP-UHFFFAOYSA-N
M.W :	178.66	Pubchem ID :	17221642
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.33
TPSA :	46.33 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.14
Log Po/w (WLOGP) :	0.38
Log Po/w (MLOGP) :	0.28
Log Po/w (SILICOS-IT) :	0.07
Consensus Log Po/w :	0.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.97
Solubility :	19.1 mg/ml ; 0.107 mol/l
Class :	Very soluble
Log S (Ali) :	-0.67
Solubility :	38.2 mg/ml ; 0.214 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.33
Solubility :	84.3 mg/ml ; 0.472 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.2

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

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