CAS RN: 1131594-80-3
tert-Butyl ((1-(piperidin-3-yl)azetidin-3-yl)Methyl)carbaMate
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.20251027 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1131594-80-3
- Purity/Analytical Methods: >99.0%
1131594-80-3 / tert-butyl N-[(1-piperidin-3-ylazetidin-3-yl)methyl]carbamate
tert-Butyl ((1-(piperidin-3-yl)azetidin-3-yl)methyl)carbamate | MFCD08275929 | tert-butyl N-[(1-piperidin-3-ylazetidin-3-yl)methyl]carbamate
Basic Information
CAS
1131594-80-3
Multi CAS
No
Molecular Formula
C14H27N3O2
Molecular Weight
269.380000
Exact Mass
269.210327
SMILES
CC(C)(C)OC(=O)NCC1CN(C1)C2CCCNC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-7-11-9-17(10-11)12-5-4-6-15-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKey
INADAXASGPTAFL-UHFFFAOYSA-N
Synonyms
tert-Butyl ((1-(piperidin-3-yl)azetidin-3-yl)methyl)carbamate
MFCD08275929
tert-butyl N-[(1-piperidin-3-ylazetidin-3-yl)methyl]carbamate
TERT-BUTYL N-{[1-(PIPERIDIN-3-YL)AZETIDIN-3-YL]METHYL}CARBAMATE
tert-Butyl {[1-(piperidin-3-yl)azetidin-3-yl]methyl}carbamate
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.19
TPSA
53.6
LogP / Solubility
WLOGP
1.19
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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