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CAS 915921-71-0 3-(1H-Imidazol-1-ylmethyl)piperidine 3HCl molecular structure lightbox
CAS RN: 915921-71-0

3-(1H-Imidazol-1-ylmethyl)piperidine 3HCl

  • Product code: SSC-204855
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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 915921-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

915921-71-0 / 3-(imidazol-1-ylmethyl)piperidine

Standard CAS: 915921-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915921-71-0
Multi CAS
Yes
Molecular Formula
C9H15N3
Molecular Weight
165.240000
Exact Mass
165.126597
InChI
InChI=1S/C9H15N3/c1-2-9(6-10-3-1)7-12-5-4-11-8-12/h4-5,8-10H,1-3,6-7H2
InChIKey
KFQCTIRXHQSXEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.82
TPSA
29.85

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
0.3
Consensus LogP
0.65
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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