![CAS 155726-05-9 (R)-(+)-1-[(1-METHYL-2-PYRROLIDINYL)METHYL]PIPERIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155726-05-9.gif)
CAS RN: 155726-05-9
(R)-(+)-1-[(1-METHYL-2-PYRROLIDINYL)METHYL]PIPERIDINE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS155726-05-9
- Purity/Analytical Methods: >99.0%
155726-05-9 / 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperidine
Basic Information
CAS
155726-05-9
Multi CAS
No
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
CN1CCC[C@@H]1CN2CCCCC2
InChI
InChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m1/s1
InChIKey
VCVPSRADUBPOKJ-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.94
TPSA
6.48
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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