4-Boc-Aminopiperidine

Cat. No.: PI73874950

Product Details Other Identifiers Computed Properties

CAS	73874-95-0
Synonyms	tert-Butyl piperidin-4-ylcarbamate
Purity	97%
Molecular Formula	C10H20N2O2
Linear Formula	NHC5H9NHCOOC(CH3)3
Molecular Weight	200.28
Molar Refractivity	59.3

Pubchem ID	723833
InChI Key	CKXZPVPIDOJLLM-UHFFFAOYSA-N
MDL Number	MFCD00798171

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	50.36 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.9
Log Po/w (iLOGP)	2.5
Log Po/w (XLOGP3)	1.05
Log Po/w (WLOGP)	0.88
Log Po/w (MLOGP)	0.86
Log Po/w (SILICOS-IT)	0.83
Consensus Log Po/w	1.22
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.78 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	2.1

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