Ethyl 4-Piperidinecarboxylate

Cat. No.: PI1126096

Product Details Other Identifiers Computed Properties

CAS	1126-09-6
Synonyms	Ethyl piperidine-4-carboxylate
Purity	97%
Molecular Formula	C8H15NO2
Molecular Weight	157.21
Molar Refractivity	46.46

Pubchem ID	70770
InChI Key	RUJPPJYDHHAEEK-UHFFFAOYSA-N
MDL Number	MFCD00006003

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	3
Topological Polar Surface Area	38.33 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.88
Log Po/w (iLOGP)	2.15
Log Po/w (XLOGP3)	0.51
Log Po/w (WLOGP)	0.17
Log Po/w (MLOGP)	0.69
Log Po/w (SILICOS-IT)	1.22
Consensus Log Po/w	0.95
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.9 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	1.42

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