Ethyl 1-Benzyl-4-piperidinecarboxylate

Name: Ethyl 1-Benzyl-4-piperidinecarboxylate
SKU: PI24228408
Rating: 5 (1 reviews)

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

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.52
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.53
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.06 cm/s
Log Po/w (iLOGP)	3.12
Log Po/w (MLOGP)	2.38
Log Po/w (SILICOS-IT)	2.73
Log Po/w (WLOGP)	1.93
Log Po/w (XLOGP3)	2.47
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	2.15
Topological Polar Surface Area	29.54 Å²
Veber	0.0

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