CAS RN: 2493424-72-7
3-methyl-1-piperidin-4-ylazetidin-3-ol hydrochloride
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS2493424-72-7
- Purity/Analytical Methods: >99.0%
2493424-72-7 / 3-methyl-1-piperidin-4-ylazetidin-3-ol;hydrochloride
Basic Information
CAS
2493424-72-7
Multi CAS
No
Molecular Formula
C9H19ClN2O
Molecular Weight
206.710000
Exact Mass
206.118591
SMILES
CC1(CN(C1)C2CCNCC2)O.Cl
InChI
InChI=1S/C9H18N2O.ClH/c1-9(12)6-11(7-9)8-2-4-10-5-3-8;/h8,10,12H,2-7H2,1H3;1H
InChIKey
XCNUSOACFAMAMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.34
TPSA
35.5
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.23
Consensus LogP
0.22
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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