2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

Cat. No.: PI122368541

Product Details Other Identifiers Computed Properties

CAS	122368-54-1
Purity	98%
Molecular Formula	C17H19ClN2O
Molecular Weight	302.80
Molar Refractivity	88.42

Pubchem ID	11141197
InChI Key	OTZYADIPHOGUDN-UHFFFAOYSA-N
MDL Number	MFCD13184723

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	34.15 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.35
Log Po/w (iLOGP)	2.94
Log Po/w (XLOGP3)	2.99
Log Po/w (WLOGP)	2.89
Log Po/w (MLOGP)	2.39
Log Po/w (SILICOS-IT)	3.91
Consensus Log Po/w	3.02
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.02 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.96

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