Piperidine-2-carboxylic acid hydrochloride

Introduction

CAS No. :	15862-86-9	MDL No. :	MFCD00012771
Formula :	C6H12ClNO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	165.62	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	44.3
TPSA :	49.33 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) :	-8.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-1.51
Log Po/w (WLOGP) :	0.63
Log Po/w (MLOGP) :	-1.86
Log Po/w (SILICOS-IT) :	0.46
Consensus Log Po/w :	-0.45

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.15
Solubility :	234.0 mg/ml ; 1.41 mol/l
Class :	Highly soluble
Log S (Ali) :	0.98
Solubility :	1580.0 mg/ml ; 9.55 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	62.2 mg/ml ; 0.376 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.78

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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