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CAS 1134330-42-9 TERT-BUTYL 1-CYCLOBUTYLPIPERIDIN-4-YLCARBAMATE molecular structure lightbox
CAS RN: 1134330-42-9

TERT-BUTYL 1-CYCLOBUTYLPIPERIDIN-4-YLCARBAMATE

  • Product code: SSC-013562
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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 1134330-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1134330-42-9 / tert-butyl N-(1-cyclobutylpiperidin-4-yl)carbamate

4-(Boc-Amino)-1-cyclobutyl-piperidine | MFCD11844781 | tert-butyl (1-cyclobutylpiperidin-4-yl)carbamate

Standard CAS: 1134330-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134330-42-9
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2CCC2
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-11-7-9-16(10-8-11)12-5-4-6-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKey
JTAWTLNMZFQPJE-UHFFFAOYSA-N
Synonyms
4-(Boc-Amino)-1-cyclobutyl-piperidine MFCD11844781 tert-butyl (1-cyclobutylpiperidin-4-yl)carbamate tert-butyl N-(1-cyclobutylpiperidin-4-yl)carbamate SCHEMBL7917248

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.6
TPSA
41.57

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.48

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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