CAS RN: 160296-41-3
Tert-Butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160296-41-3
- Purity/Analytical Methods: >99.0%
160296-41-3 / tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
Basic Information
CAS
160296-41-3
Multi CAS
No
Molecular Formula
C17H24FNO3
Molecular Weight
309.400000
Exact Mass
309.174022
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3
InChIKey
UPXBKNVHTILOPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.89
TPSA
49.77
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
2.8
Consensus LogP
3.14
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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