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CAS 1198286-46-2 tert-Butyl 4-pentanoylpiperidin-1-carboxylate molecular structure lightbox
CAS RN: 1198286-46-2

tert-Butyl 4-pentanoylpiperidin-1-carboxylate

  • Product code: SSC-020603
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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 1198286-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1198286-46-2 / tert-butyl 4-pentanoylpiperidine-1-carboxylate

tert-butyl 4-pentanoylpiperidine-1-carboxylate | MFCD12912613 | tert-Butyl 4-pentanoylpiperidin-1-carboxylate

Standard CAS: 1198286-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198286-46-2
Multi CAS
No
Molecular Formula
C15H27NO3
Molecular Weight
269.380000
Exact Mass
269.199094
SMILES
CCCCC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO3/c1-5-6-7-13(17)12-8-10-16(11-9-12)14(18)19-15(2,3)4/h12H,5-11H2,1-4H3
InChIKey
HYCQGTNXEHKDLQ-UHFFFAOYSA-N
Synonyms
tert-butyl 4-pentanoylpiperidine-1-carboxylate MFCD12912613 tert-Butyl 4-pentanoylpiperidin-1-carboxylate tert-butyl4-pentanoylpiperidine-1-carboxylate DTXSID80678100

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
75.06
TPSA
46.61

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.03
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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