[email protected]
CAS 85817-27-2 2-(Methoxymethyl)-1,4-bis(phenylmethyl)piperazine molecular structure lightbox
CAS RN: 85817-27-2

2-(Methoxymethyl)-1,4-bis(phenylmethyl)piperazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 1g Out of stock 15 business days Inquiry
GET A QUOTE

85817-27-2 / 1,4-dibenzyl-2-(methoxymethyl)piperazine

1,4-dibenzyl-2-(methoxymethyl)piperazine | SCHEMBL64954 | BVCJSDGVJGPPLY-UHFFFAOYSA-N

Standard CAS: 85817-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85817-27-2
Multi CAS
No
Molecular Formula
C20H26N2O
Molecular Weight
310.400000
Exact Mass
310.204513
SMILES
COCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-23-17-20-16-21(14-18-8-4-2-5-9-18)12-13-22(20)15-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKey
BVCJSDGVJGPPLY-UHFFFAOYSA-N
Synonyms
1,4-dibenzyl-2-(methoxymethyl)piperazine SCHEMBL64954 BVCJSDGVJGPPLY-UHFFFAOYSA-N 1,4-Dibenzyl-2-methoxymethyl-piperazine DB-311518

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
94.24
TPSA
15.71

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us