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CAS 1169698-77-4 1-(6-bromopyridin-3-yl)-N,N-dimethylpiperidin-4-amine molecular structure lightbox
CAS RN: 1169698-77-4

1-(6-bromopyridin-3-yl)-N,N-dimethylpiperidin-4-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016783
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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: ＞97%
  • 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 1169698-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1169698-77-4 / 1-(6-bromo-3-pyridinyl)-N,N-dimethylpiperidin-4-amine

1-(6-bromopyridin-3-yl)-N,N-dimethylpiperidin-4-amine | MFCD28013601 | 1-(6-Bromo-3-pyridyl)-N,N-dimethylpiperidin-4-amine

Standard CAS: 1169698-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1169698-77-4
Multi CAS
No
Molecular Formula
C12H18BrN3
Molecular Weight
284.200000
Exact Mass
283.068410
SMILES
CN(C)C1CCN(CC1)C2=CN=C(C=C2)Br
InChI
InChI=1S/C12H18BrN3/c1-15(2)10-5-7-16(8-6-10)11-3-4-12(13)14-9-11/h3-4,9-10H,5-8H2,1-2H3
InChIKey
CINMPVSDUUVMKS-UHFFFAOYSA-N
Synonyms
1-(6-bromopyridin-3-yl)-N,N-dimethylpiperidin-4-amine MFCD28013601 1-(6-Bromo-3-pyridyl)-N,N-dimethylpiperidin-4-amine 1-(2-Bromopyridin-5-yl)-N,N-dimethylpiperidin-4-amine SCHEMBL1976516

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.86
TPSA
19.37

LogP / Solubility

WLOGP
2.37
MLOGP
2.1
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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