1-Methylpiperidine-4-carbonyl chloride hydrochloride

Name: 1-Methylpiperidine-4-carbonyl chloride hydrochloride
SKU: PI7462842
Rating: 5 (1 reviews)

Catalog NumberPI7462842

CAS Number7462-84-2

CategoryAntimigraine Agents Intermediates

1-Methylpiperidine-4-carbonyl chloride hydrochloride

Product Details

Purity	97%
Molecular Formula	C7H13Cl2NO
Molecular Weight	198.09
Molar Refractivity	52.42

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Other Identifiers

Pubchem ID	21956506
InChI Key	NHTZOVLQKKXFJM-UHFFFAOYSA-N
MDL Number	MFCD15474941

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.22
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.86
Ghose	None
GI Absorption	High
Heavy Atom Count	11
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)	0.0
Log Po/w (MLOGP)	1.07
Log Po/w (SILICOS-IT)	1.43
Log Po/w (WLOGP)	1.51
Log Po/w (XLOGP3)	2.07
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.44
Topological Polar Surface Area	20.31 Å²
Veber	0.0

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