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CAS 216688-64-1 2-(Piperidin-4-yl)pyridine hydrochloride molecular structure lightbox
CAS RN: 216688-64-1

2-(Piperidin-4-yl)pyridine hydrochloride

  • Product code: SSC-103995
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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 216688-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

216688-64-1 / 2-piperidin-4-ylpyridine;hydrochloride

Standard CAS: 216688-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216688-64-1
Multi CAS
No
Molecular Formula
C10H15ClN2
Molecular Weight
198.690000
Exact Mass
198.092376
SMILES
C1CNCCC1C2=CC=CC=N2.Cl
InChI
InChI=1S/C10H14N2.ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;/h1-3,6,9,11H,4-5,7-8H2;1H
InChIKey
BFWSEJQRPNTSPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.33
TPSA
24.92

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

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

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