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CAS 2359-60-6 4-Piperidinoaniline molecular structure lightbox
CAS RN: 2359-60-6

4-Piperidinoaniline

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100g Out of stock Inquiry
Batchno.20250307 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260626 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250924 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS2359-60-6
  • Purity/Analytical Methods: >99.0%
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2359-60-6 / 4-piperidin-1-ylaniline

Standard CAS: 2359-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2359-60-6
Multi CAS
No
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
SMILES
C1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H16N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2
InChIKey
TVOSOIXYPHKEAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.92
TPSA
29.26

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.7
Consensus LogP
2.32
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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