[email protected]
CAS 162712-35-8 1-Piperazineethanol, a-[(2-methoxyphenoxy)methyl]- molecular structure lightbox
CAS RN: 162712-35-8

1-Piperazineethanol, a-[(2-methoxyphenoxy)methyl]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250114 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS162712-35-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

162712-35-8 / 1-(2-methoxyphenoxy)-3-piperazin-1-ylpropan-2-ol

Standard CAS: 162712-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162712-35-8
Multi CAS
No
Molecular Formula
C14H22N2O3
Molecular Weight
266.340000
Exact Mass
266.163043
SMILES
COC1=CC=CC=C1OCC(CN2CCNCC2)O
InChI
InChI=1S/C14H22N2O3/c1-18-13-4-2-3-5-14(13)19-11-12(17)10-16-8-6-15-7-9-16/h2-5,12,15,17H,6-11H2,1H3
InChIKey
HVPPJURUTODQOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.81
TPSA
53.96

LogP / Solubility

WLOGP
0.34
MLOGP
0.31
XLogP3
1.5
Consensus LogP
0.72
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us