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CAS 1383682-59-4 tert-butyl 4-(4-amino-3-methylphenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1383682-59-4

tert-butyl 4-(4-amino-3-methylphenyl)piperidine-1-carboxylate

  • Product code: SSC-048276
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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: 5g
  • Available purity: ＞97%
  • 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 1383682-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1383682-59-4 / tert-butyl 4-(4-amino-3-methylphenyl)piperidine-1-carboxylate

Standard CAS: 1383682-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1383682-59-4
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC1=C(C=CC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C17H26N2O2/c1-12-11-14(5-6-15(12)18)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3
InChIKey
FYWQDSKSFFKCHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.37
TPSA
55.56

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3
Consensus LogP
3.32
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly 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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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