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CAS 1206247-72-4 2-Bromo-5-(N-Boc-piperidin-4-yl)pyridine molecular structure lightbox
CAS RN: 1206247-72-4

2-Bromo-5-(N-Boc-piperidin-4-yl)pyridine

  • Product code: SSC-021646
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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: 0.25g
  • 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 1206247-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1206247-72-4 / tert-butyl 4-(6-bromo-3-pyridinyl)piperidine-1-carboxylate

2-Bromo-5-(N-Boc-piperidin-4-yl)pyridine | 1-Boc-4-(6-bromo-3-pyridyl)piperidine | tert-Butyl 4-(6-bromopyridin-3-yl)piperidine-1-carboxylate

Standard CAS: 1206247-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206247-72-4
Multi CAS
Yes
Molecular Formula
C15H21BrN2O2
Molecular Weight
341.240000
Exact Mass
340.078640
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=C(C=C2)Br
InChI
InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3
InChIKey
ORGICPGVZBQBDV-UHFFFAOYSA-N
Synonyms
2-Bromo-5-(N-Boc-piperidin-4-yl)pyridine 1-Boc-4-(6-bromo-3-pyridyl)piperidine tert-Butyl 4-(6-bromopyridin-3-yl)piperidine-1-carboxylate MFCD14581780 AT23340

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
81.72
TPSA
42.43

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
3.3
Consensus LogP
3.59
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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