3-(4-Nitrophenyl)piperidine

Cat. No.: PI19733552

Product Details Other Identifiers Computed Properties

CAS	19733-55-2
Purity	min. 95%
Molecular Formula	C11H14N2O2
Molecular Weight	206.24
Molar Refractivity	64.06

Pubchem ID	17845800
InChI Key	IFEPNLVXIOKMEY-UHFFFAOYSA-N
MDL Number	MFCD14706176

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	57.85 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.45
Log Po/w (iLOGP)	2.11
Log Po/w (XLOGP3)	1.86
Log Po/w (WLOGP)	1.68
Log Po/w (MLOGP)	2.01
Log Po/w (SILICOS-IT)	0.49
Consensus Log Po/w	1.63
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.24 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	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.15

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