2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone (Q27193455)

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

11 October 2016

chemical formula

C₁₄H₁₉ClN₂O

1 reference

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

11 October 2016

canonical SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCl

1 reference

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3

11 October 2016

Identifiers

InChI

1 reference

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

DVBSBXBABNLMIS-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

CAS (formerly Chemical Abstracts Service)

11 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

796067-49-7

1 reference

stated in

25 January 2022

1 reference

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

11 October 2016

1 reference

1-(chloroacetyl)-4-(3-methylbenzyl)piperazine (English)

11 October 2016

ChEBI ID

112991

mapping relation type

2 references

2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3

1 reference