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CAS 1378896-71-9 4,4′-Dimethyl-2,2′-bipiperidine (mixture of isomers) molecular structure lightbox
CAS RN: 1378896-71-9

4,4′-Dimethyl-2,2′-bipiperidine (mixture of isomers)

  • Product code: SSC-047633
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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 1378896-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1378896-71-9 / 4-methyl-2-(4-methylpiperidin-2-yl)piperidine

Standard CAS: 1378896-71-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1378896-71-9
Multi CAS
No
Molecular Formula
C12H24N2
Molecular Weight
196.330000
Exact Mass
196.193949
SMILES
CC1CCNC(C1)C2CC(CCN2)C
InChI
InChI=1S/C12H24N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h9-14H,3-8H2,1-2H3
InChIKey
TYVXPASNXBGHSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.38
TPSA
24.06

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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