Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate manufacturers and suppliers on PharmaCompass

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Chemistry

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Also known as: 1254115-22-4, Mfcd28155142, 1-piperazinecarboxylic acid, 4-(3-oxetanyl)-, phenylmethyl ester, 1-cbz-4-(3-oxetanyl)piperazine, Schembl879861, Amy34035
Molecular Formula
C15H20N2O3
Molecular Weight
276.33  g/mol
InChI Key
VJDWVTGQLRWGKY-UHFFFAOYSA-N

Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate
1 2D Structure

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

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 Weight 276.33 g/mol
Molecular Formula C15H20N2O3
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area42
Heavy Atom Count20
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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