Tagoor Laboratories

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

Chemistry, 1 End Use API, 4 Related Intermediates

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

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

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 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

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3-Hydroxypiperidine

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CAS Number

6859-99-0

End Use API

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.