![CAS 174561-04-7 [1-(4-Fluoro-benzyl)-piperidin-4-yl]-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62531043.gif)
CAS RN: 174561-04-7
[1-(4-Fluoro-benzyl)-piperidin-4-yl]-methanol
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.20251214 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174561-04-7
- Purity/Analytical Methods: >99.0%
174561-04-7 / [1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol
Basic Information
CAS
174561-04-7
Multi CAS
No
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
C1CN(CCC1CO)CC2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FNO/c14-13-3-1-11(2-4-13)9-15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-10H2
InChIKey
FWAZUFNANVXNLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.49
TPSA
23.47
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
TETRAMETHYLRHODAMINE-5-MALEIMIDE
- CAS RN: 174568-67-3
- Product Code: starshine_CAS174568-67-3
- Purity/Analytical method: >99.0%
