1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine

Name: 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine
SKU: PI74852612
Rating: 5 (1 reviews)

Cat. No.: PI74852612

Product Details Other Identifiers Computed Properties

CAS	74852-61-2
Purity	97%
Molecular Formula	C17H19N3O3
Molecular Weight	313.35
Molar Refractivity	98.25

Pubchem ID	5134657
InChI Key	AVCKOFMRPAJEPN-UHFFFAOYSA-N
MDL Number	MFCD01604435

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	61.53 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	2.51
Log Po/w (XLOGP3)	3.44
Log Po/w (WLOGP)	2.17
Log Po/w (MLOGP)	2.49
Log Po/w (SILICOS-IT)	0.38
Consensus Log Po/w	2.2
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.77 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	2.0 alert
Brenk	2.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.36

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