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CAS 1280642-23-0 2-(4,4-Dimethyl-1-piperidyl)aniline molecular structure lightbox
CAS RN: 1280642-23-0

2-(4,4-Dimethyl-1-piperidyl)aniline

  • Product code: SSC-035416
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1280642-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Hong Kong Inquiry

1280642-23-0 / 2-(4,4-dimethylpiperidin-1-yl)aniline

Standard CAS: 1280642-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1280642-23-0
Multi CAS
No
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
SMILES
CC1(CCN(CC1)C2=CC=CC=C2N)C
InChI
InChI=1S/C13H20N2/c1-13(2)7-9-15(10-8-13)12-6-4-3-5-11(12)14/h3-6H,7-10,14H2,1-2H3
InChIKey
UFBNYSQNRWLDGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.08
TPSA
29.26

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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