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CAS 1033748-33-2 trans-4-(Boc-aMino)-3-Methoxypiperidine molecular structure lightbox
CAS RN: 1033748-33-2

trans-4-(Boc-aMino)-3-Methoxypiperidine

  • Product code: SSC-004872
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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 1033748-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1033748-33-2 / tert-butyl N-[(3R,4R)-3-methoxypiperidin-4-yl]carbamate

TRANS-4-(BOC-AMINO)-3-METHOXYPIPERIDINE | MFCD22566136 | tert-Butyl ((3R,4R)-3-methoxypiperidin-4-yl)carbamate

Standard CAS: 1033748-33-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033748-33-2
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1OC
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-6-12-7-9(8)15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m1/s1
InChIKey
BSSCFNOPCQQJAZ-RKDXNWHRSA-N
Synonyms
TRANS-4-(BOC-AMINO)-3-METHOXYPIPERIDINE MFCD22566136 tert-Butyl ((3R,4R)-3-methoxypiperidin-4-yl)carbamate tert-butyl N-[(3R,4R)-3-methoxy-4-piperidyl]carbamate TERT-BUTYL N-[(3R,4R)-3-METHOXYPIPERIDIN-4-YL]CARBAMATE

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.44
TPSA
59.59

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

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

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