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CAS 690261-90-6 4-(1H-Tetrazol-1-yl)piperidine hydrochloride molecular structure lightbox
CAS RN: 690261-90-6

4-(1H-Tetrazol-1-yl)piperidine hydrochloride

  • Product code: SSC-178660
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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 690261-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

690261-90-6 / 4-(tetrazol-1-yl)piperidine;hydrochloride

Standard CAS: 690261-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
690261-90-6
Multi CAS
Yes
Molecular Formula
C6H12CLN5
Molecular Weight
189.650000
Exact Mass
189.078123
InChI
InChI=1S/C6H11N5.ClH/c1-3-7-4-2-6(1)11-5-8-9-10-11;/h5-7H,1-4H2;1H
InChIKey
AFNWBWYWRLKULC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.21
TPSA
55.63

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.86

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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