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CAS 255051-62-8 tert-butyl 4-(2-(hydroxymethyl)phenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 255051-62-8

tert-butyl 4-(2-(hydroxymethyl)phenyl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 1g Out of stock 15 business days Inquiry
  • Product code: SSC-121521
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 255051-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

255051-62-8 / tert-butyl 4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate

Standard CAS: 255051-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
255051-62-8
Multi CAS
No
Molecular Formula
C17H25NO3
Molecular Weight
291.400000
Exact Mass
291.183444
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2CO
InChI
InChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-10-8-13(9-11-18)15-7-5-4-6-14(15)12-19/h4-7,13,19H,8-12H2,1-3H3
InChIKey
XUAIUEGHJIVPSA-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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