4-(2,4-Difluorobenzoyl)piperidine hydrochloride

Name: 4-(2,4-Difluorobenzoyl)piperidine hydrochloride
SKU: PI106266040
Rating: 5 (1 reviews)

Catalog NumberPI106266040

CAS Number106266-04-0

CategoryAntipsychotics Intermediates

4-(2,4-Difluorobenzoyl)piperidine hydrochloride

Product Details

Purity	98%
Molecular Formula	C12H14ClF2NO
Molecular Weight	261.70
Molar Refractivity	67.35

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Other Identifiers

Pubchem ID	18759874
InChI Key	QPJONRGTWKXJLG-UHFFFAOYSA-N
MDL Number	MFCD01313310

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.43
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.42
Ghose	None
GI Absorption	High
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.03 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	2.73
Log Po/w (SILICOS-IT)	3.38
Log Po/w (WLOGP)	3.41
Log Po/w (XLOGP3)	2.63
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	2
Synthetic Accessibility	1.79
Topological Polar Surface Area	29.1 Å²
Veber	0.0

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