CAS RN: 885270-25-7
1-CBZ-PIPERIDINE-4-CARBOXAMIDINE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS885270-25-7
- Purity/Analytical Methods: >99.0%
885270-25-7 / benzyl 4-carbamimidoylpiperidine-1-carboxylate
Basic Information
CAS
885270-25-7
Multi CAS
No
Molecular Formula
C14H19N3O2
Molecular Weight
261.320000
Exact Mass
261.147727
InChI
InChI=1S/C14H19N3O2/c15-13(16)12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,15,16)
InChIKey
ZTXCTYJVTHUYGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.84
TPSA
79.41
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
1.1
Consensus LogP
1.6
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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