4-Methyl-2-(piperidin-1-yl)quinoline

Introduction

CAS No. :	5465-86-1	MDL No. :	MFCD00817920
Formula :	C15H18N2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	USYRQXDHKXGTCK-UHFFFAOYSA-N
M.W :	226.32	Pubchem ID :	230710
Synonyms :	CID-230710;NSC 25850;2-piperidino-Lepidine	Chemical Name :	4-Methyl-2-(piperidin-1-yl)quinoline

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.4
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	76.16
TPSA :	16.13 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.8
Log Po/w (XLOGP3) :	3.86
Log Po/w (WLOGP) :	3.15
Log Po/w (MLOGP) :	3.26
Log Po/w (SILICOS-IT) :	3.53
Consensus Log Po/w :	3.32

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.04
Solubility :	0.0204 mg/ml ; 0.0000903 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.9
Solubility :	0.0288 mg/ml ; 0.000127 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.82
Solubility :	0.00343 mg/ml ; 0.0000152 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.86

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:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine