4-Piperidinol

Introduction

CAS No. :	5382-16-1	MDL No. :	MFCD00005999
Formula :	C5H11NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HDOWRFHMPULYOA-UHFFFAOYSA-N
M.W :	101.15	Pubchem ID :	79341
Synonyms :		Chemical Name :	4-Piperidinol

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	31.91
TPSA :	32.26 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) :	-7.15 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.33
Log Po/w (XLOGP3) :	-0.33
Log Po/w (WLOGP) :	-0.65
Log Po/w (MLOGP) :	-0.16
Log Po/w (SILICOS-IT) :	0.73
Consensus Log Po/w :	0.18

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.26
Solubility :	55.7 mg/ml ; 0.551 mol/l
Class :	Very soluble
Log S (Ali) :	0.11
Solubility :	131.0 mg/ml ; 1.3 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.44
Solubility :	37.0 mg/ml ; 0.366 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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