CAS RN: 1177093-16-1
Ethyl 1-(2-aMinoethyl)piperidine-4-carboxylate dihydrochloride
- Product code: SSC-017544
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1177093-16-1 / ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
Ethyl 1-(2-aminoethyl)piperidine-4-carboxylate dihydrochloride | MFCD12022630 | ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
Basic Information
CAS
1177093-16-1
Multi CAS
Yes
Molecular Formula
C10H22Cl2N2O2
Molecular Weight
273.200000
Exact Mass
272.105833
SMILES
CCOC(=O)C1CCN(CC1)CCN.Cl.Cl
InChI
InChI=1S/C10H20N2O2.2ClH/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11;;/h9H,2-8,11H2,1H3;2*1H
InChIKey
ADDHSVZNOGSADA-UHFFFAOYSA-N
Synonyms
Ethyl 1-(2-aminoethyl)piperidine-4-carboxylate dihydrochloride
MFCD12022630
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
DTXSID901374431
SY349589
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.35
TPSA
55.56
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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