[email protected]
CAS 100939-89-7 (3-METHOXY-PHENYL)-PIPERAZIN-1-YL-METHANONE molecular structure lightbox
CAS RN: 100939-89-7

(3-METHOXY-PHENYL)-PIPERAZIN-1-YL-METHANONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS100939-89-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

100939-89-7 / (3-methoxyphenyl)-piperazin-1-ylmethanone

(3-methoxyphenyl)(piperazin-1-yl)methanone | 1-(3-methoxybenzoyl)piperazine | 3-(Piperazinocarbonyl)anisole

Standard CAS: 100939-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100939-89-7
Multi CAS
Yes
Molecular Formula
C12H16N2O2
Molecular Weight
220.270000
Exact Mass
220.121178
SMILES
COC1=CC=CC(=C1)C(=O)N2CCNCC2
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChIKey
IPZDOXRVWBCKCE-UHFFFAOYSA-N
Synonyms
(3-methoxyphenyl)(piperazin-1-yl)methanone 1-(3-methoxybenzoyl)piperazine 3-(Piperazinocarbonyl)anisole (3-Methoxy-phenyl)-piperazin-1-yl-methanone (3-methoxyphenyl)-piperazin-1-ylmethanone

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.77
TPSA
41.57

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us