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CAS 1196713-21-9 (S)-4-(piperidin-3-yl)aniline molecular structure lightbox
CAS RN: 1196713-21-9

(S)-4-(piperidin-3-yl)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-020349
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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 1196713-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1196713-21-9 / 4-[(3S)-piperidin-3-yl]aniline

4-(3-Piperidinyl)benzenamine | RefChem:1069908 | 4-(Piperidin-3-yl)aniline

Standard CAS: 1196713-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196713-21-9
Multi CAS
Yes
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
SMILES
C1C[C@H](CNC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H16N2/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8,12H2/t10-/m1/s1
InChIKey
COUOFYDJUDASPJ-SNVBAGLBSA-N
Synonyms
4-(3-Piperidinyl)benzenamine RefChem:1069908 4-(Piperidin-3-yl)aniline 4-piperidin-3-ylaniline Benzenamine, 4-(3-piperidinyl)-

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
2
Molar refractivity
55.7
TPSA
38.05

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.56

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
2

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