tert-Butyl piperidine-1-carboxylate

Name: tert-Butyl piperidine-1-carboxylate
SKU: PI75844698
Rating: 5 (1 reviews)

Catalog NumberPI75844698

CAS Number75844-69-8

CategoryAntineoplastics Intermediates

Product Details

Purity	98%
Molecular Formula	C10H19NO2
Molecular Weight	185.26
Molar Refractivity	56.59

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Other Identifiers

Pubchem ID	7010304
InChI Key	RQCNHUCCQJMSRG-UHFFFAOYSA-N
MDL Number	MFCD02093935

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.99
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.9
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.04 cm/s
Log Po/w (iLOGP)	2.82
Log Po/w (MLOGP)	1.71
Log Po/w (SILICOS-IT)	1.44
Log Po/w (WLOGP)	2.03
Log Po/w (XLOGP3)	1.96
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.93
Topological Polar Surface Area	29.54 Å²
Veber	0.0

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