1-Methylpiperidine-4-carboxylic acid

Cat. No.: PI68947433

Product Details Other Identifiers Computed Properties

CAS	68947-43-3
Purity	95%
Molecular Formula	C7H13NO2
Molecular Weight	143.18
Molar Refractivity	42.23

Pubchem ID	2736939
InChI Key	HCKNAJXCHMACDN-UHFFFAOYSA-N
MDL Number	MFCD06659473

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	1
Topological Polar Surface Area	40.54 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.86
Log Po/w (iLOGP)	1.42
Log Po/w (XLOGP3)	-2.0
Log Po/w (WLOGP)	0.03
Log Po/w (MLOGP)	0.35
Log Po/w (SILICOS-IT)	0.31
Consensus Log Po/w	0.02
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.59 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	1.1

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