tert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate

Cat. No.: PI166815969

Product Details Other Identifiers Computed Properties

CAS	166815-96-9
Purity	97%
Molecular Formula	C18H27NO5S
Molecular Weight	369.48
Molar Refractivity	100.07

Pubchem ID	10642851
InChI Key	DARTVAOOTJKHQW-UHFFFAOYSA-N
MDL Number	MFCD05864740

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	7
Topological Polar Surface Area	81.29 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.61
Log Po/w (iLOGP)	3.82
Log Po/w (XLOGP3)	3.2
Log Po/w (WLOGP)	4.05
Log Po/w (MLOGP)	2.74
Log Po/w (SILICOS-IT)	2.09
Consensus Log Po/w	3.18
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.28 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	3.24

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