CAS RN: 1146080-19-4
3-(3-HydroxyMethyl-piperidin-1-yl)-1-phenyl-propan-1-one, 98+% C15H21NO2, MW: 247.34
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-19-4
- Purity/Analytical Methods: >99.0%
1146080-19-4 / 3-[3-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-one
3-(3-Hydroxymethyl-piperidin-1-yl)-1-phenyl-propan-1-one | 3-(3-(Hydroxymethyl)piperidin-1-yl)-1-phenylpropan-1-one | 3-[3-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-one
Basic Information
CAS
1146080-19-4
Multi CAS
No
Molecular Formula
C15H21NO2
Molecular Weight
247.330000
Exact Mass
247.157229
SMILES
C1CC(CN(C1)CCC(=O)C2=CC=CC=C2)CO
InChI
InChI=1S/C15H21NO2/c17-12-13-5-4-9-16(11-13)10-8-15(18)14-6-2-1-3-7-14/h1-3,6-7,13,17H,4-5,8-12H2
InChIKey
XWPDSOSNNQNOSM-UHFFFAOYSA-N
Synonyms
3-(3-Hydroxymethyl-piperidin-1-yl)-1-phenyl-propan-1-one
3-(3-(Hydroxymethyl)piperidin-1-yl)-1-phenylpropan-1-one
3-[3-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-one
3-[3-(hydroxymethyl)piperidyl]-1-phenylpropan-1-one
DTXSID80671353
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.64
TPSA
40.54
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.83
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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