tert-Butyl 4-(4-amino-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate

Cat. No.: PI1032903631

Product Details Other Identifiers Computed Properties

CAS	1032903-63-1
Purity	97%
Molecular Formula	C20H32N2O3
Molecular Weight	348.48
Molar Refractivity	106.56

Pubchem ID	59764580
InChI Key	MNUPHINLCXJKEZ-UHFFFAOYSA-N
MDL Number	MFCD26407295

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	6
Topological Polar Surface Area	64.79 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.65
Log Po/w (iLOGP)	3.96
Log Po/w (XLOGP3)	3.8
Log Po/w (WLOGP)	4.11
Log Po/w (MLOGP)	2.83
Log Po/w (SILICOS-IT)	3.27
Consensus Log Po/w	3.59
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.73 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.88

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