1-Methyl-4-piperidone

Cat. No.: PI1445734

Product Details Other Identifiers Computed Properties

CAS	1445-73-4
Purity	98%
Molecular Formula	C6H11NO
Linear Formula	OC(C2H4)2NCH3
Molecular Weight	113.16
Molar Refractivity	35.85

Pubchem ID	74049
InChI Key	HUUPVABNAQUEJW-UHFFFAOYSA-N
MDL Number	MFCD00006191

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	20.31 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.83
Log Po/w (iLOGP)	1.54
Log Po/w (XLOGP3)	-0.28
Log Po/w (WLOGP)	-0.1
Log Po/w (MLOGP)	0.07
Log Po/w (SILICOS-IT)	1.1
Consensus Log Po/w	0.47
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.19 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.0

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