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CAS 1198283-87-2 tert-Butyl 4-(3-acetylphenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1198283-87-2

tert-Butyl 4-(3-acetylphenyl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-020596
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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: 0.25g
  • 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 1198283-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1198283-87-2 / tert-butyl 4-(3-acetylphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-acetylphenyl)piperidine-1-carboxylate | MFCD11111398 | 1-Piperidinecarboxylic acid, 4-(3-acetylphenyl)-, 1,1-dimethylethyl ester

Standard CAS: 1198283-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198283-87-2
Multi CAS
No
Molecular Formula
C18H25NO3
Molecular Weight
303.400000
Exact Mass
303.183444
SMILES
CC(=O)C1=CC=CC(=C1)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H25NO3/c1-13(20)15-6-5-7-16(12-15)14-8-10-19(11-9-14)17(21)22-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3
InChIKey
CVPMXQHBQZSDKH-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(3-acetylphenyl)piperidine-1-carboxylate MFCD11111398 1-Piperidinecarboxylic acid, 4-(3-acetylphenyl)-, 1,1-dimethylethyl ester SCHEMBL19293625 AKOS025290939

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
86.23
TPSA
46.61

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3
Consensus LogP
3.51
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

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

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