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CAS 206273-87-2 4-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 206273-87-2

4-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-097240
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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: 5g
  • Available purity: ＞97%
  • 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 206273-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

206273-87-2 / tert-butyl 4-(benzylamino)piperidine-1-carboxylate

Standard CAS: 206273-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206273-87-2
Multi CAS
No
Molecular Formula
C17H26N2O2
Molecular Weight
290.400000
Exact Mass
290.199428
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKey
IUJZIXJMTQNFOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.11
TPSA
41.57

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
2.7
Consensus LogP
2.9
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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