CAS RN: 1185308-94-4
(4-AMino-piperidin-1-yl)-pyrazin-2-yl-Methanone hydrochloride, 98+% C10H15ClN4O, MW: 242.71
- Product code: SSC-018381
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 | Hong Kong | Inquiry |
1185308-94-4 / (4-aminopiperidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
(4-Aminopiperidin-1-yl)(pyrazin-2-yl)methanone hydrochloride | (4-Amino-piperidin-1-yl)-pyrazin-2-yl-methanone hydrochloride | 1-(pyrazine-2-carbonyl)piperidin-4-amine hydrochloride
Basic Information
CAS
1185308-94-4
Multi CAS
No
Molecular Formula
C10H15ClN4O
Molecular Weight
242.700000
Exact Mass
242.093439
SMILES
C1CN(CCC1N)C(=O)C2=NC=CN=C2.Cl
InChI
InChI=1S/C10H14N4O.ClH/c11-8-1-5-14(6-2-8)10(15)9-7-12-3-4-13-9;/h3-4,7-8H,1-2,5-6,11H2;1H
InChIKey
CEWVQQDOSRQXAB-UHFFFAOYSA-N
Synonyms
(4-Aminopiperidin-1-yl)(pyrazin-2-yl)methanone hydrochloride
(4-Amino-piperidin-1-yl)-pyrazin-2-yl-methanone hydrochloride
1-(pyrazine-2-carbonyl)piperidin-4-amine hydrochloride
(4-amino-1-piperidyl)-pyrazin-2-yl-methanone hydrochloride
MFCD09607873
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.39
TPSA
72.11
LogP / Solubility
WLOGP
0.46
MLOGP
0.41
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.87
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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