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CAS 1089280-53-4 tert-butyl 4-(4-aMino-3-Methoxyphenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1089280-53-4

tert-butyl 4-(4-aMino-3-Methoxyphenyl)piperidine-1-carboxylate

  • Product code: SSC-010122
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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 1089280-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1089280-53-4 / tert-butyl 4-(4-amino-3-methoxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-amino-3-methoxyphenyl)piperidine-1-carboxylate | MFCD22190950 | 1-Piperidinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester

Standard CAS: 1089280-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1089280-53-4
Multi CAS
No
Molecular Formula
C17H26N2O3
Molecular Weight
306.400000
Exact Mass
306.194343
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=C(C=C2)N)OC
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-9-7-12(8-10-19)13-5-6-14(18)15(11-13)21-4/h5-6,11-12H,7-10,18H2,1-4H3
InChIKey
IWKHHOSJKSVLCT-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-amino-3-methoxyphenyl)piperidine-1-carboxylate MFCD22190950 1-Piperidinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester SCHEMBL310046 SCHEMBL30957975

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.19
TPSA
64.79

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
2.6
Consensus LogP
3
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

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
2.5

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