N,N-Dimethylpiperidin-3-amine

Introduction

CAS No. :	50534-49-1	MDL No. :	MFCD06796405
Formula :	C7H16N2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NMGVIZJUIPNHLI-UHFFFAOYSA-N
M.W :	128.22	Pubchem ID :	14459854
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.26
TPSA :	15.27 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.09
Log Po/w (XLOGP3) :	0.39
Log Po/w (WLOGP) :	-0.08
Log Po/w (MLOGP) :	0.57
Log Po/w (SILICOS-IT) :	0.61
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) :	-0.81
Solubility :	19.6 mg/ml ; 0.153 mol/l
Class :	Very soluble
Log S (Ali) :	-0.28
Solubility :	67.8 mg/ml ; 0.529 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.16
Solubility :	8.85 mg/ml ; 0.069 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.72

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	2735
Hazard Statements:	H314	Packing Group:	Ⅲ
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