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CAS 68304-97-2 1-(1-phenylethyl)piperidin-4-amine molecular structure lightbox
CAS RN: 68304-97-2

1-(1-phenylethyl)piperidin-4-amine

  • Product code: SSC-178042
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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 68304-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

68304-97-2 / 1-(1-phenylethyl)piperidin-4-amine

Standard CAS: 68304-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68304-97-2
Multi CAS
No
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
InChI
InChI=1S/C13H20N2/c1-11(12-5-3-2-4-6-12)15-9-7-13(14)8-10-15/h2-6,11,13H,7-10,14H2,1H3
InChIKey
PFQXDUKLHMLEHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.64
TPSA
29.26

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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