1-(Cyclopropylcarbonyl)piperazine hydrochloride

Cat. No.: PI1021298678

Product Details Other Identifiers Computed Properties

CAS	1021298-67-8
Purity	97%
Molecular Formula	C8H15ClN2O
Molecular Weight	190.67
Molar Refractivity	57.03

Pubchem ID	20847955
InChI Key	WIHDAPMHNYYTOA-UHFFFAOYSA-N
MDL Number	MFCD03428576

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	32.34 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.88
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.33
Log Po/w (WLOGP)	-0.19
Log Po/w (MLOGP)	0.6
Log Po/w (SILICOS-IT)	0.91
Consensus Log Po/w	0.33
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.23 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	1.35

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