2,2,6,6-Tetramethylpiperidine

Introduction

CAS No. :	768-66-1	MDL No. :	MFCD00005985
Formula :	C9H19N	Boiling Point :	-
Linear Structure Formula :	HNC(CH3)2(CH2)3C(CH3)2	InChI Key :	RKMGAJGJIURJSJ-UHFFFAOYSA-N
M.W :	141.25	Pubchem ID :	13035
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	50.06
TPSA :	12.03 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) :	-5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.59
Log Po/w (XLOGP3) :	2.15
Log Po/w (WLOGP) :	1.94
Log Po/w (MLOGP) :	2.15
Log Po/w (SILICOS-IT) :	2.43
Consensus Log Po/w :	2.25

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.07
Solubility :	1.2 mg/ml ; 0.00851 mol/l
Class :	Soluble
Log S (Ali) :	-2.03
Solubility :	1.3 mg/ml ; 0.00923 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.82
Solubility :	0.214 mg/ml ; 0.00151 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.17

Signal Word:	Danger	Class:	3,6.1
Precautionary Statements:	P210-P301+P310+P330-P302+P352-P305+P351+P338	UN#:	1992
Hazard Statements:	H226-H301-H315-H319-H335	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