Ethyl 1-Benzyl-4-piperidinecarboxylate

Cat. No.: PI24228408

Product Details Other Identifiers Computed Properties

CAS	24228-40-8
Synonyms	Ethyl N-benzylpiperidine-4-carboxylate
Purity	98%
Molecular Formula	C15H21NO2
Molecular Weight	247.33
Molar Refractivity	75.85

Pubchem ID	90423
InChI Key	ASQCOPJFYLJCGD-UHFFFAOYSA-N
MDL Number	MFCD00040748

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	5
Topological Polar Surface Area	29.54 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.53
Log Po/w (iLOGP)	3.12
Log Po/w (XLOGP3)	2.47
Log Po/w (WLOGP)	1.93
Log Po/w (MLOGP)	2.38
Log Po/w (SILICOS-IT)	2.73
Consensus Log Po/w	2.52
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.06 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	1.0
Synthetic Accessibility	2.15

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