[email protected]
CAS 1260864-79-6 Benzenamine, 3-methyl-4-(4-piperidinyl)- molecular structure lightbox
CAS RN: 1260864-79-6

Benzenamine, 3-methyl-4-(4-piperidinyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260864-79-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1260864-79-6 / 3-methyl-4-piperidin-4-ylaniline

Standard CAS: 1260864-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260864-79-6
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
SMILES
CC1=C(C=CC(=C1)N)C2CCNCC2
InChI
InChI=1S/C12H18N2/c1-9-8-11(13)2-3-12(9)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKey
MZVDHNXZVIGXLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.44
TPSA
38.05

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.7
Consensus LogP
1.85
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us