CAS RN: 690634-79-8
MORPHOLINO(2-PIPERIDINYL)METHANONE HYDROCHLORIDE
- Product code: SSC-178702
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: ≥96%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
690634-79-8 / morpholin-4-yl(piperidin-2-yl)methanone;hydrochloride
Basic Information
CAS
690634-79-8
Multi CAS
Yes
Molecular Formula
C10H19CLN2O2
Molecular Weight
234.720000
Exact Mass
234.113506
InChI
InChI=1S/C10H18N2O2.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-14-8-6-12;/h9,11H,1-8H2;1H
InChIKey
QTMPLCRQSUNTJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.29
TPSA
41.57
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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