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CAS 211247-60-8 N,N-diMethyl-1-(4-nitrophenyl)-4-PiperidinaMine molecular structure lightbox
CAS RN: 211247-60-8

N,N-diMethyl-1-(4-nitrophenyl)-4-PiperidinaMine

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250528 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250720 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS211247-60-8
  • Purity/Analytical Methods: >99.0%
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211247-60-8 / N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine

Standard CAS: 211247-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211247-60-8
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CN(C)C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O2/c1-14(2)11-7-9-15(10-8-11)12-3-5-13(6-4-12)16(17)18/h3-6,11H,7-10H2,1-2H3
InChIKey
OCTNQAZYWLBDEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
72.02
TPSA
49.62

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
3
Consensus LogP
2.34
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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