![CAS 1185307-54-3 1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-54-3.gif)
CAS RN: 1185307-54-3
1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250716 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-54-3
- Purity/Analytical Methods: >99.0%
1185307-54-3 / 1-[1-(3-chlorophenyl)ethyl]piperazine;hydrochloride
1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride | 1-(1-(3-Chlorophenyl)ethyl)piperazine hydrochloride | 1-[1-(3-chlorophenyl)ethyl]piperazine;hydrochloride
Basic Information
CAS
1185307-54-3
Multi CAS
No
Molecular Formula
C12H18Cl2N2
Molecular Weight
261.190000
Exact Mass
260.084704
SMILES
CC(C1=CC(=CC=C1)Cl)N2CCNCC2.Cl
InChI
InChI=1S/C12H17ClN2.ClH/c1-10(15-7-5-14-6-8-15)11-3-2-4-12(13)9-11;/h2-4,9-10,14H,5-8H2,1H3;1H
InChIKey
NFMRBLYSENTKMZ-UHFFFAOYSA-N
Synonyms
1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride
1-(1-(3-Chlorophenyl)ethyl)piperazine hydrochloride
1-[1-(3-chlorophenyl)ethyl]piperazine;hydrochloride
1-[1-(3-chlorophenyl)ethyl]piperazine hydrochloride
DTXSID70671781
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.56
TPSA
15.27
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.73
Consensus LogP
2.62
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1185307-76-9 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-76-9.gif)
