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CAS 1089279-90-2 1-(5-Methoxy-2-Methyl-4-nitrophenyl)-N,N-diMethylpiperidin-4-aMine molecular structure lightbox
CAS RN: 1089279-90-2

1-(5-Methoxy-2-Methyl-4-nitrophenyl)-N,N-diMethylpiperidin-4-aMine

  • Product code: SSC-010118
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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, 5g, 10g
  • 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 1089279-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1089279-90-2 / 1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine

1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine | N,N-dimethyl-1-[3-(methyloxy)-4-nitrophenyl]-4-piperidinamine | MFCD22190905

Standard CAS: 1089279-90-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089279-90-2
Multi CAS
Yes
Molecular Formula
C14H21N3O3
Molecular Weight
279.330000
Exact Mass
279.158292
SMILES
CN(C)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C14H21N3O3/c1-15(2)11-6-8-16(9-7-11)12-4-5-13(17(18)19)14(10-12)20-3/h4-5,10-11H,6-9H2,1-3H3
InChIKey
PZVSRJZDEMTYLK-UHFFFAOYSA-N
Synonyms
1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine N,N-dimethyl-1-[3-(methyloxy)-4-nitrophenyl]-4-piperidinamine MFCD22190905 starbld0000125 SCHEMBL310477

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
78.57
TPSA
58.85

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.14
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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