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CAS 252578-12-4 2-(4-Boc-AMinopiperidino)pyridine molecular structure lightbox
CAS RN: 252578-12-4

2-(4-Boc-AMinopiperidino)pyridine

  • Product code: SSC-121058
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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 252578-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

252578-12-4 / tert-butyl N-(1-pyridin-2-ylpiperidin-4-yl)carbamate

Standard CAS: 252578-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252578-12-4
Multi CAS
No
Molecular Formula
C15H23N3O2
Molecular Weight
277.360000
Exact Mass
277.179027
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-12-7-10-18(11-8-12)13-6-4-5-9-16-13/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKey
FCUJUFYDZBYLGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.84
TPSA
54.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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