CAS RN: 1082040-38-7

1-Methyl-4-Methoxy-piperidine-4-Methanol

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  • Product code: starshine_CAS1082040-38-7
  • Purity/Analytical Methods: >99.0%
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1082040-38-7 / (4-methoxy-1-methylpiperidin-4-yl)methanol

(4-methoxy-1-methylpiperidin-4-yl)methanol | 1-Methyl-4-methoxy-piperidine-4-methanol | SCHEMBL23102835

Standard CAS: 1082040-38-7 Multi CAS: No

Basic Information

CAS
1082040-38-7
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
SMILES
CN1CCC(CC1)(CO)OC
InChI
InChI=1S/C8H17NO2/c1-9-5-3-8(7-10,11-2)4-6-9/h10H,3-7H2,1-2H3
InChIKey
BEFRSOORJLKENY-UHFFFAOYSA-N
Synonyms
(4-methoxy-1-methylpiperidin-4-yl)methanol 1-Methyl-4-methoxy-piperidine-4-methanol SCHEMBL23102835 DTXSID001279292 4-Methoxy-1-methyl-4-piperidinemethanol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.56
TPSA
32.7

LogP / Solubility

WLOGP
0.09
MLOGP
0.07
XLogP3
-0.2
Consensus LogP
-0.01
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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