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CAS 1159826-57-9 3-Piperidinone, 2-ethyl-, hydrochloride (1:1) molecular structure lightbox
CAS RN: 1159826-57-9

3-Piperidinone, 2-ethyl-, hydrochloride (1:1)

  • Product code: SSC-015925
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159826-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

1159826-57-9 / 2-ethylpiperidin-3-one;hydrochloride

2-ethylpiperidin-3-one hydrochloride | 2-Ethyl-piperidin-3-one hydrochloride | 2-Ethyl-3-piperidinone Hydrochloride

Standard CAS: 1159826-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159826-57-9
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
CCC1C(=O)CCCN1.Cl
InChI
InChI=1S/C7H13NO.ClH/c1-2-6-7(9)4-3-5-8-6;/h6,8H,2-5H2,1H3;1H
InChIKey
RKYYSPXEELHYRU-UHFFFAOYSA-N
Synonyms
2-ethylpiperidin-3-one hydrochloride 2-Ethyl-piperidin-3-one hydrochloride 2-Ethyl-3-piperidinone Hydrochloride 2-ETHYL-PIPERIDIN-3-ONE HCL MFCD08061213

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.57
TPSA
29.1

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.14
Consensus LogP
1.09
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.91

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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