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CAS 179110-74-8 tert-butyl 4-amino-1-piperidinecarboxylate hydrochloride molecular structure lightbox
CAS RN: 179110-74-8

tert-butyl 4-amino-1-piperidinecarboxylate hydrochloride

  • Product code: SSC-079808
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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: ≥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 179110-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

179110-74-8 / tert-butyl N-piperidin-4-ylcarbamate;hydrochloride

Standard CAS: 179110-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179110-74-8
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)NC1CCNCC1.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H
InChIKey
VVLJVJSHANVSGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.51
TPSA
50.36

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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