CAS RN: 1207602-55-8
(R)-1-(3-aminopiperidin-1-yl)ethan-1-one hydrochloride
- Product code: SSC-021990
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 | Shanghai | Inquiry |
1207602-55-8 / 1-[(3S)-3-aminopiperidin-1-yl]ethanone
1-(3-amino-1-piperidinyl)Ethanone | RefChem:1054125 | 1-Acetyl-3-aminopiperidine
Basic Information
CAS
1207602-55-8
Multi CAS
Yes
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
SMILES
CC(=O)N1CCC[C@@H](C1)N
InChI
InChI=1S/C7H14N2O/c1-6(10)9-4-2-3-7(8)5-9/h7H,2-5,8H2,1H3/t7-/m0/s1
InChIKey
IXINAEREEWKDJW-ZETCQYMHSA-N
Synonyms
1-(3-amino-1-piperidinyl)Ethanone
RefChem:1054125
1-Acetyl-3-aminopiperidine
1-(3-aminopiperidin-1-yl)ethanone
MFCD09264572
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.46
TPSA
46.33
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.05
XLogP3
-0.7
Consensus LogP
-0.26
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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