1,4-Benzodioxan-2-carboxypiperazine, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H16N2O3
Molecular Weight	248.2777
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4-Benzodioxan-2-carboxypiperazine, (S)-

Structure Search

SMILES

O=C([C@@H]1COC2=CC=CC=C2O1)N3CCNCC3

InChI

InChIKey=FLUPDJNTYCSBJZ-LBPRGKRZSA-N

InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H16N2O3
Molecular Weight	248.2777
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:42:20 GMT 2025` Edited by `admin` on `Wed Apr 02 18:42:20 GMT 2025`
Record UNII	9UA2PVP5JC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-Benzodioxan-2-carboxypiperazine, (S)-

Systematic Name

English

(S)-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone

Preferred Name

English

N-1,4-benzodioxane-2-carbonyl piperazine, (S)-

Systematic Name

English

[(2S)-2,3-Dihydro-1,4-benzodioxin-2-yl]-1-piperazinylmethanone

Systematic Name

English

Piperazine, 1-[[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]-

Systematic Name

English

[(3S)-2,3-Dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone

Systematic Name

English

(S)-1,4-Benzodioxan-2-carboxypiperazine

Systematic Name

English

Methanone, [(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-1-piperazinyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

9UA2PVP5JC

Created by admin on Wed Apr 02 18:42:20 GMT 2025 , Edited by admin on Wed Apr 02 18:42:20 GMT 2025

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EPA CompTox

DTXSID20351046

Created by admin on Wed Apr 02 18:42:20 GMT 2025 , Edited by admin on Wed Apr 02 18:42:20 GMT 2025

PRIMARY

PUBCHEM

689092

Created by admin on Wed Apr 02 18:42:20 GMT 2025 , Edited by admin on Wed Apr 02 18:42:20 GMT 2025

PRIMARY

CAS

401941-54-6

Created by admin on Wed Apr 02 18:42:20 GMT 2025 , Edited by admin on Wed Apr 02 18:42:20 GMT 2025

PRIMARY

Related Record Type Details


					53FEH46OYE

1,4-Benzodioxan-2-carboxypiperazine

RACEMATE -> ENANTIOMER

Amount: