(1-Benzylpiperidin-4-yl)methanol

Name: (1-Benzylpiperidin-4-yl)methanol
SKU: PI67686015
Rating: 5 (1 reviews)

Cat. No.: PI67686015

Product Details Other Identifiers Computed Properties

CAS	67686-01-5
Purity	97%
Molecular Formula	C13H19NO
Linear Formula	C7H7C5H9NCH2OH
Molecular Weight	205.30
Molar Refractivity	66.11

Pubchem ID	736802
InChI Key	FLQPYEOKVZYXRL-UHFFFAOYSA-N
MDL Number	MFCD00831014

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	23.47 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.54
Log Po/w (iLOGP)	2.44
Log Po/w (XLOGP3)	1.82
Log Po/w (WLOGP)	1.36
Log Po/w (MLOGP)	2.02
Log Po/w (SILICOS-IT)	2.34
Consensus Log Po/w	1.99
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.26 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	1.64

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