(4-Fluoropiperidin-4-yl)methanol hydrochloride

Introduction

CAS No. :	1254115-16-6	MDL No. :	MFCD19105116
Formula :	C6H13ClFNO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	UEWAOBUILVUPBK-UHFFFAOYSA-N
M.W :	169.63	Pubchem ID :	56971709
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	43.77
TPSA :	32.26 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) :	-6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.63
Log Po/w (WLOGP) :	0.91
Log Po/w (MLOGP) :	0.74
Log Po/w (SILICOS-IT) :	1.32
Consensus Log Po/w :	0.72

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.22
Solubility :	10.2 mg/ml ; 0.0599 mol/l
Class :	Very soluble
Log S (Ali) :	-0.88
Solubility :	22.2 mg/ml ; 0.131 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	7.02 mg/ml ; 0.0414 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.34

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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