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CAS 168272-98-8 1-Piperidinamine,4-methoxy-(9CI) molecular structure lightbox
CAS RN: 168272-98-8

1-Piperidinamine,4-methoxy-(9CI)

  • Product code: SSC-073360
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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 168272-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

168272-98-8 / 4-methoxypiperidin-1-amine

Standard CAS: 168272-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168272-98-8
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
COC1CCN(CC1)N
InChI
InChI=1S/C6H14N2O/c1-9-6-2-4-8(7)5-3-6/h6H,2-5,7H2,1H3
InChIKey
GJTVDDHKWCAWGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.79
TPSA
38.49

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.1
Consensus LogP
-0.05
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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