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CAS 69682-13-9 4-(TERT-BUTYL)PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 69682-13-9

4-(TERT-BUTYL)PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-179409
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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 69682-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

69682-13-9 / 4-tert-butylpiperidine;hydrochloride

Standard CAS: 69682-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69682-13-9
Multi CAS
Yes
Molecular Formula
C9H20CLN
Molecular Weight
177.710000
Exact Mass
177.128427
InChI
InChI=1S/C9H19N.ClH/c1-9(2,3)8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
InChIKey
RWQQDIHTYQYXDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.3
TPSA
12.03

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.06

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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