4-Methoxy-3-(3-(4-methylpiperazin-1-yl)propoxy)aniline

Cat. No.: PI846023550

Product Details Other Identifiers Computed Properties

CAS	846023-55-0
Purity	95%
Molecular Formula	C15H25N3O2
Molecular Weight	279.38
Molar Refractivity	88.99

Pubchem ID	58999794
InChI Key	DDWYYSNSEJHVFI-UHFFFAOYSA-N
MDL Number	MFCD22573848

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	6
Topological Polar Surface Area	50.96 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.6
Log Po/w (iLOGP)	3.17
Log Po/w (XLOGP3)	1.39
Log Po/w (WLOGP)	0.54
Log Po/w (MLOGP)	0.78
Log Po/w (SILICOS-IT)	1.4
Consensus Log Po/w	1.46
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.02 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	0.0
Synthetic Accessibility	2.34

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