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CAS 864359-18-2 tert-butyl 4-(4-(hydroxymethyl)phenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 864359-18-2

tert-butyl 4-(4-(hydroxymethyl)phenyl)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS864359-18-2
  • Purity/Analytical Methods: >99.0%
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864359-18-2 / tert-butyl 4-[4-(hydroxymethyl)phenyl]piperidine-1-carboxylate

Standard CAS: 864359-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864359-18-2
Multi CAS
No
Molecular Formula
C17H25NO3
Molecular Weight
291.400000
Exact Mass
291.183444
InChI
InChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-10-8-15(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,15,19H,8-12H2,1-3H3
InChIKey
YPAVHCJZNOTJLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.15
TPSA
49.77

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
2.5
Consensus LogP
2.9
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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