4-Amino-2,2,6,6-tetramethylpiperidine

Introduction

CAS No. :	36768-62-4	MDL No. :	MFCD00005984
Formula :	C9H20N2	Boiling Point :	-
Linear Structure Formula :	C5H6N(CH3)4NH2	InChI Key :	FTVFPPFZRRKJIH-UHFFFAOYSA-N
M.W :	156.27	Pubchem ID :	37524
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
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 :	52.76
TPSA :	38.05 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) :	-6.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.16
Log Po/w (XLOGP3) :	0.65
Log Po/w (WLOGP) :	0.87
Log Po/w (MLOGP) :	1.22
Log Po/w (SILICOS-IT) :	1.28
Consensus Log Po/w :	1.24

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 :	9.45 mg/ml ; 0.0605 mol/l
Class :	Very soluble
Log S (Ali) :	-1.02
Solubility :	14.8 mg/ml ; 0.0945 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.24
Solubility :	0.895 mg/ml ; 0.00573 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.49

Signal Word:	Danger	Class:	8
Precautionary Statements:	P234-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338	UN#:	2735
Hazard Statements:	H290-H302-H314-H412	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