1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C15H20N2O3/c18-15(20-10-13-4-2-1-3-5-13)17-8-6-16(7-9-17)14-11-19-12-14/h1-5,14H,6-12H2

2.1.3 InChI Key

VJDWVTGQLRWGKY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1C2COC2)C(=O)OCC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1254115-22-4

2. Mfcd28155142

3. 1-piperazinecarboxylic Acid, 4-(3-oxetanyl)-, Phenylmethyl Ester

4. 1-cbz-4-(3-oxetanyl)piperazine

5. Schembl879861

6. Amy34035

7. Akos025289675

8. Gs-5735

9. Sb12378

10. Sy099027

11. Cs-0037001

12. Ft-0729537

13. Benzyl4-(oxetan-3-yl)piperazine-1-carboxylate

14. P14554

15. A890214

16. Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate, Aldrichcpr

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₀N₂O₃
Molecular Weight	276.33 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42
Heavy Atom Count	20
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate