CAS RN: 1936687-06-7
1-((1-benzylpiperidin-4-yl)methyl)urea, 97%(HPLC)
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.20251229 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB927217
1936687-06-7 / (1-benzylpiperidin-4-yl)methylurea
Basic Information
CAS
1936687-06-7
Multi CAS
No
Molecular Formula
C14H21N3O
Molecular Weight
247.340000
Exact Mass
247.168462
SMILES
C1CN(CCC1CNC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C14H21N3O/c15-14(18)16-10-12-6-8-17(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H3,15,16,18)
InChIKey
REBOGSICOOHCDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.03
TPSA
58.36
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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